methyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
methyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | M379-0702 |
| Compound Name: | methyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | CCn1cc2CCN(Cc3cccc1c23)C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9082 |
| logD: | 3.9082 |
| logSw: | -4.0739 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.603 |
| InChI Key: | HVNPSGCRDWBMMQ-UHFFFAOYSA-N |