ethyl 4-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
ethyl 4-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C849-0587 |
| Compound Name: | ethyl 4-[(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(c1ccc(cc1)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3833 |
| logD: | 3.3772 |
| logSw: | -3.7643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.565 |
| InChI Key: | PDRCSPSSYYHVSI-UHFFFAOYSA-N |