1-[(2-chlorophenyl)methyl]-8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-0340 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 579.12 |
| Molecular Formula: | C29 H31 Cl N6 O3 S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1nc2c(C(N(Cc3ccccc3[Cl])C(N2C)=O)=O)n1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5667 |
| logD: | 1.8301 |
| logSw: | -3.7937 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.756 |
| InChI Key: | QKSWXWAZXICSEC-UHFFFAOYSA-N |