1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-{[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-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-(2,4,6-trimethylphenyl)-1H-tetrazol-5-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-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8013-0818 |
| Compound Name: | 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-{[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 462.62 |
| Molecular Formula: | C25 H30 N6 O S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1nnnn1c1c(C)cc(C)cc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3818 |
| logD: | 2.6452 |
| logSw: | -4.4364 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.984 |
| InChI Key: | CWZXJGYEANDEOS-UHFFFAOYSA-N |