N-(4-carbamoylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-carbamoylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-carbamoylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0033 |
| Compound Name: | N-(4-carbamoylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C22 H24 N4 O3 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)C(N)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8964 |
| logD: | 1.896 |
| logSw: | -2.8886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.769 |
| InChI Key: | HDVOOBQIFZJEEI-IBGZPJMESA-N |