N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0663 |
| Compound Name: | N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C28 H37 N3 O3 |
| Smiles: | CC12CC3CC(C)(C1)CC(C3)(C2)OCCNC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3056 |
| logD: | 4.3056 |
| logSw: | -4.2606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.235 |
| InChI Key: | URSKKSFSKBIWBC-UHFFFAOYSA-N |