6-(3-fluoro-4-methylbenzene-1-sulfonyl)-2,9-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-(3-fluoro-4-methylbenzene-1-sulfonyl)-2,9-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole--hydrogen chloride (1/1)
6-(3-fluoro-4-methylbenzene-1-sulfonyl)-2,9-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-0472C |
| Compound Name: | 6-(3-fluoro-4-methylbenzene-1-sulfonyl)-2,9-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole--hydrogen chloride (1/1) |
| Molecular Weight: | 422.95 |
| Molecular Formula: | C21 H23 F N2 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)c1CN(C)CCCc1n2S(c1ccc(C)c(c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5825 |
| logD: | 2.021 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.4719 |
| InChI Key: | RHFUOZIVIIKYNW-UHFFFAOYSA-N |