ethyl 3-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
ethyl 3-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | M379-0529 |
| Compound Name: | ethyl 3-[(1-methyl-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: | CCOC(c1cccc(c1)NC(N1CCc2cn(C)c3cccc(C1)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1243 |
| logD: | 4.1243 |
| logSw: | -4.2697 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.014 |
| InChI Key: | IHGPDOLKLIDGOJ-UHFFFAOYSA-N |