ethyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
ethyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | M379-0653 |
| Compound Name: | ethyl 3-[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | CCn1cc2CCN(Cc3cccc1c23)C(Nc1cccc(c1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4189 |
| logD: | 4.4189 |
| logSw: | -4.3452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.183 |
| InChI Key: | YFNAUJGDFWUQMD-UHFFFAOYSA-N |