1-methyl-N-[3-(methylsulfanyl)phenyl]-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-[3-(methylsulfanyl)phenyl]-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
1-methyl-N-[3-(methylsulfanyl)phenyl]-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Compound characteristics
| Compound ID: | M379-0578 |
| Compound Name: | 1-methyl-N-[3-(methylsulfanyl)phenyl]-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C20 H21 N3 O S |
| Smiles: | Cn1cc2CCN(Cc3cccc1c23)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8032 |
| logD: | 3.8032 |
| logSw: | -3.97 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.26 |
| InChI Key: | JDJXQOWUNZVJOA-UHFFFAOYSA-N |