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6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile

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Name

6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile

EINECS N/A
CAS No. 7063-25-4 Density 1.43 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C35H34N6O3S2 Boiling Point 653.8 °C at 760 mmHg
Molecular Weight 650.81 Flash Point 349.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7063-25-4 (6-(4-benzylpiperidin-1-yl)-5-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile) Hazard Symbols N/A
Synonyms

N/A

 

6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile Specification

This chemical is called 6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile, and its CAS registry number is 7063-25-4. With the molecular formula of C35H34N6O3S2, its molecular weight is 650.81.

Other characteristics of the 6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile can be summarised as followings: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 148.59 Å2; (7)Index of Refraction: 1.736; (8)Molar Refractivity: 182.65 cm3; (9)Molar Volume: 454.7 cm3; (10)Polarizability: 72.4×10-24cm3; (11)Surface Tension: 79.7 dyne/cm; (12)Density: 1.43 g/cm3; (13)Flash Point: 349.2 °C; (14)Enthalpy of Vaporization: 96.3 kJ/mol; (15)Boiling Point: 653.8 °C at 760 mmHg; (16)Vapour Pressure: 5.7E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C3SC(C(=O)N3C=2C(=O)N(c1ccccc1)N(C=2C)C)=CC=6/C(=C(/C#N)C(=O)N(C=6N5CCC(Cc4ccccc4)CC5)C)C
2.InChI: InChI=1/C35H34N6O3S2/c1-22-27(31(37(3)32(42)28(22)21-36)39-17-15-25(16-18-39)19-24-11-7-5-8-12-24)20-29-33(43)40(35(45)46-29)30-23(2)38(4)41(34(30)44)26-13-9-6-10-14-26/h5-14,20,25H,15-19H2,1-4H3 
3.InChIKey: BLAQMIOHVSCBIB-UHFFFAOYAL

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