dimethyl 5-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C849-0561 |
| Compound Name: | dimethyl 5-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C24 H23 N3 O6 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2707 |
| logD: | 3.269 |
| logSw: | -3.5725 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.159 |
| InChI Key: | VDXKFZKZRRVZFU-UHFFFAOYSA-N |