2,9-dimethyl-6-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
Chemical Structure Depiction of
2,9-dimethyl-6-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
2,9-dimethyl-6-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
Compound characteristics
| Compound ID: | H025-0473C |
| Compound Name: | 2,9-dimethyl-6-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole |
| Molecular Weight: | 458.93 |
| Molecular Formula: | C21 H21 F3 N2 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)c1CN(C)CCCc1n2S(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7494 |
| logD: | 2.1879 |
| logSw: | -4.6681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.4719 |
| InChI Key: | PEIZTUXPWGZOKZ-UHFFFAOYSA-N |