N-(3,4-dimethylphenyl)-1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
N-(3,4-dimethylphenyl)-1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Compound characteristics
| Compound ID: | M379-0181 |
| Compound Name: | N-(3,4-dimethylphenyl)-1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C21 H23 N3 O |
| Smiles: | Cc1ccc(cc1C)NC(N1CCc2cn(C)c3cccc(C1)c23)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3297 |
| logD: | 4.3297 |
| logSw: | -4.4066 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.26 |
| InChI Key: | QCYHNHSNXTVOEX-UHFFFAOYSA-N |