2,9-dimethyl-6-(4-methylbenzene-1-sulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
Chemical Structure Depiction of
2,9-dimethyl-6-(4-methylbenzene-1-sulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
2,9-dimethyl-6-(4-methylbenzene-1-sulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
Compound characteristics
| Compound ID: | H025-0060 |
| Compound Name: | 2,9-dimethyl-6-(4-methylbenzene-1-sulfonyl)-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | Cc1ccc(cc1)S(n1c2CCCN(C)Cc2c2cc(C)ccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3496 |
| logD: | 1.7881 |
| logSw: | -4.3798 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.4719 |
| InChI Key: | CPSJFWHRMYOMAZ-UHFFFAOYSA-N |