1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-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-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-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-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8018-9153 |
| Compound Name: | 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 548.71 |
| Molecular Formula: | C32 H32 N6 O S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7031 |
| logD: | 2.9665 |
| logSw: | -4.6814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.382 |
| InChI Key: | OUDOPQGDHPZRET-UHFFFAOYSA-N |