ethyl 3-{3-oxo-3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-oxo-3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]propanamido}benzoate
ethyl 3-{3-oxo-3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]propanamido}benzoate
Compound characteristics
| Compound ID: | C865-0132 |
| Compound Name: | ethyl 3-{3-oxo-3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)amino]propanamido}benzoate |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H26 N4 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(CC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0367 |
| logD: | 3.0363 |
| logSw: | -3.5294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.501 |
| InChI Key: | LMQGDRFREAOFBZ-UHFFFAOYSA-N |