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| CAS No.: | 917879-39-1 |
|---|---|
| Name: | Mk-2461 . |
| Molecular Structure: | |
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| Formula: | C24H25N5O5S |
| Molecular Weight: | 495.557 |
| Synonyms: | Mk-2461 .;N-[(2R)-1,4-dioxan-2-ylMethyl]-N-Methyl{[5-(1-Methyl-1H-pyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]aMino}sulfonaMide;N-((2R)-1,4-Dioxan-2-ylmethyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide |
| Density: | 1.45 g/cm3 |
| Melting Point: | 192-193 °C |
| Boiling Point: | 732.4 °C at 760 mmHg |
| Flash Point: | 396.7 °C |
| PSA: | 124.03000 |
| LogP: | 3.30640 |
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- Total:35 Page 1 of 1 1
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Specification
The MK-2461 is an organic compound with the formula C24H25N5O5S. With the CAS registry number 917879-39-1, it is also named as N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfuric diamide.
Physical properties about MK-2461 are: (1)# of Rule of 5 Violations: 1 ; (2)#H bond acceptors: 10; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 124.03 Å2; (6)Index of Refraction: 1.692; (7)Molar Refractivity: 130.49 cm3; (8)Molar Volume: 340.4 cm3; (9)Polarizability: 51.73×10-24cm3; (10)Surface Tension: 59.2 dyne/cm; (11)Density: 1.45 g/cm3; (12)Flash Point: 396.7 °C; (13)Enthalpy of Vaporization: 106.88 kJ/mol; (14)Boiling Point: 732.4 °C at 760 mmHg; (15)Vapour Pressure: 2.62E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1cc(cn1)c2cc3c(ccc4ccc(cc4c3=O)NS(=O)(=O)N(C)CC5COCCO5)nc2
(2)InChI: InChI=1/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
(3)InChIKey: JGEBLDKNWBUGRZ-HXUWFJFHBO
(4)Std. InChI: InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
(5)Std. InChIKey: JGEBLDKNWBUGRZ-HXUWFJFHSA-N