N-(4-cyanophenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-cyanophenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0027 |
| Compound Name: | N-(4-cyanophenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C23 H24 N4 O2 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(C#N)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5264 |
| logD: | 3.526 |
| logSw: | -3.7801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.726 |
| InChI Key: | ZLUQRMKPGNQIHE-NRFANRHFSA-N |