methyl 2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
methyl 2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C849-0384 |
| Compound Name: | methyl 2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | COC(c1ccccc1NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7047 |
| logD: | 2.1855 |
| logSw: | -3.3618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.287 |
| InChI Key: | URDYCKQBAGEFDD-UHFFFAOYSA-N |