1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-{[1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8013-0607 |
| Compound Name: | 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C23 H26 N6 O2 S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1nnnn1c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5554 |
| logD: | 0.8187 |
| logSw: | -3.0822 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.13 |
| InChI Key: | MFOMDGQAIVKJQL-UHFFFAOYSA-N |