1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(1-phenyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(1-phenyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(1-phenyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8013-0350 |
| Compound Name: | 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(1-phenyl-1H-benzimidazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C28 H28 N4 O S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1nc2ccccc2n1c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4425 |
| logD: | 2.7058 |
| logSw: | -4.453 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.9176 |
| InChI Key: | VIXAARUGCWVACW-UHFFFAOYSA-N |