4-(2,9-dimethyl-2,3,4,5-tetrahydroazepino[4,3-b]indole-6(1H)-sulfonyl)benzonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(2,9-dimethyl-2,3,4,5-tetrahydroazepino[4,3-b]indole-6(1H)-sulfonyl)benzonitrile--hydrogen chloride (1/1)
4-(2,9-dimethyl-2,3,4,5-tetrahydroazepino[4,3-b]indole-6(1H)-sulfonyl)benzonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-0485C |
| Compound Name: | 4-(2,9-dimethyl-2,3,4,5-tetrahydroazepino[4,3-b]indole-6(1H)-sulfonyl)benzonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)c1CN(C)CCCc1n2S(c1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5807 |
| logD: | 1.0192 |
| logSw: | -3.9471 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.528 |
| InChI Key: | PMVNDCKYQDFAJK-UHFFFAOYSA-N |