6-(3,4-difluorobenzene-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-(3,4-difluorobenzene-1-sulfonyl)-2,9-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole--hydrogen chloride (1/1)
6-(3,4-difluorobenzene-1-sulfonyl)-2,9-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | H025-0471C |
Compound Name: | 6-(3,4-difluorobenzene-1-sulfonyl)-2,9-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole--hydrogen chloride (1/1) |
Molecular Weight: | 426.91 |
Molecular Formula: | C20 H20 F2 N2 O2 S |
Salt: | HCl |
Smiles: | Cc1ccc2c(c1)c1CN(C)CCCc1n2S(c1ccc(c(c1)F)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2893 |
logD: | 1.7278 |
logSw: | -4.3949 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 31.4719 |
InChI Key: | XTFUDTDADYWUDW-UHFFFAOYSA-N |