methyl 3-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
methyl 3-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | M379-0579 |
| Compound Name: | methyl 3-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | Cn1cc2CCN(Cc3cccc1c23)C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6136 |
| logD: | 3.6136 |
| logSw: | -3.9028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.434 |
| InChI Key: | FQRPZDSVSLDJTI-UHFFFAOYSA-N |