methyl 3-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
methyl 3-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | S413-0447 |
| Compound Name: | methyl 3-[(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]benzoate |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1433 |
| logD: | 4.1433 |
| logSw: | -4.2022 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.843 |
| InChI Key: | IGSXWYNDNBPBNQ-NRFANRHFSA-N |