2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethan-1-one
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethan-1-one
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-7208 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethan-1-one |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C22 H23 Cl N6 O S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1nnnn1c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1677 |
| logD: | 1.4311 |
| logSw: | -3.4841 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.586 |
| InChI Key: | GJNBAISSZRNGTM-UHFFFAOYSA-N |