1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[5-(4-methylphenyl)-2H-tetrazol-2-yl]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-[5-(4-methylphenyl)-2H-tetrazol-2-yl]ethan-1-one
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[5-(4-methylphenyl)-2H-tetrazol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8013-1042 |
| Compound Name: | 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[5-(4-methylphenyl)-2H-tetrazol-2-yl]ethan-1-one |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C23 H26 N6 O |
| Smiles: | Cc1ccc(cc1)c1nnn(CC(N2C3CCN(C)CC3c3cc(C)ccc23)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6583 |
| logD: | 0.9216 |
| logSw: | -3.0362 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.039 |
| InChI Key: | TZMMNMNLKAIQRX-UHFFFAOYSA-N |