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Akti-1/2

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Name

Akti-1/2

EINECS 1592732-453-0
CAS No. 612847-09-3 Density 1.351 g/cm3
PSA 95.49000 LogP 6.25810
Solubility N/A Melting Point 242-245 °C (dec.)
Formula C34H29N7O Boiling Point N/A
Molecular Weight 551.64 Flash Point N/A
Transport Information N/A Appearance Pale yellow solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 612847-09-3 (AKTI-1/2) Hazard Symbols N/A
Synonyms

1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one;1-{1-[4-(7-Phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one;1,3-Dihydro-1-(1-((4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl)methyl)-4-piperidinyl)-2H-benzimidazol-2-one;Akt Inhibitor VIII;

 

Akti-1/2 Specification

The 2H-Benzimidazol-2-one,1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]- with CAS registry number of 612847-09-3 is also known as 1,3-Dihydro-1-(1-((4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl)methyl)-4-piperidinyl)-2H-benzimidazol-2-one. The systematic name is 1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one. It belongs to product categories of All Inhibitors; Inhibitors. In addition, the formula is C34H29N7O and the molecular weight is 551.64. This chemical is a pale yellow solid.

Physical properties about 2H-Benzimidazol-2-one,1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]- are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 8; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.734; (7)Molar Refractivity: 163.66 cm3; (8)Molar Volume: 408.38 cm3; (9)Polarizability: 64.88×10-24cm3; (10)Surface Tension: 70.451 dyne/cm; (11)Density: 1.351 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: O=C2Nc1ccccc1N2C8CCN(Cc7ccc(c4nc6c(nc4c3ccccc3)cc5ncnc5c6)cc7)CC8
2. InChI: InChI=1/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
3. InChIKey: BIWGYFZAEWGBAL-UHFFFAOYAM
4. Std. InChI: InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
5. Std. InChIKey: BIWGYFZAEWGBAL-UHFFFAOYSA-N

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