2-{[1-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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: | 8012-5269 |
| Compound Name: | 2-{[1-(2H-1,3-benzodioxol-5-yl)-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: | 464.55 |
| Molecular Formula: | C23 H24 N6 O3 S |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(CSc1nnnn1c1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5238 |
| logD: | 0.7872 |
| logSw: | -3.1288 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.701 |
| InChI Key: | NJOVNBSOIMLIGF-UHFFFAOYSA-N |