1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(6-phenyl-1,2,4-triazin-3-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-[(6-phenyl-1,2,4-triazin-3-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-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8018-9133 |
| Compound Name: | 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C24 H25 N5 O S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1ncc(c2ccccc2)nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8605 |
| logD: | 1.1238 |
| logSw: | -3.2612 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.334 |
| InChI Key: | SVHHEBYMWQCPJF-UHFFFAOYSA-N |