2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-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-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethan-1-one
2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-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: | 8013-1839 |
| Compound Name: | 2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]-1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)ethan-1-one |
| Molecular Weight: | 422.92 |
| Molecular Formula: | C22 H23 Cl N6 O |
| Smiles: | Cc1ccc2c(c1)C1CN(C)CCC1N2C(Cn1nc(c2ccccc2[Cl])nn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4861 |
| logD: | 0.7494 |
| logSw: | -3.4762 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.039 |
| InChI Key: | SSDCVOWMGCLSRS-UHFFFAOYSA-N |