1-methyl-N-[4-(methylsulfanyl)phenyl]-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-[4-(methylsulfanyl)phenyl]-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
1-methyl-N-[4-(methylsulfanyl)phenyl]-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Compound characteristics
| Compound ID: | M379-0609 |
| Compound Name: | 1-methyl-N-[4-(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(Nc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0616 |
| logD: | 4.0616 |
| logSw: | -4.0967 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.26 |
| InChI Key: | WQCQIKPKOHEXLK-UHFFFAOYSA-N |