ethyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
ethyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C849-0520 |
| Compound Name: | ethyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5639 |
| logD: | 3.5634 |
| logSw: | -3.7169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.565 |
| InChI Key: | HIQGZJNIAYQDQK-UHFFFAOYSA-N |