N-[1-(adamantan-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[1-(adamantan-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | Y504-5087 |
| Compound Name: | N-[1-(adamantan-1-yl)propyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C27 H35 N3 O2 |
| Smiles: | CCC(C12CC3CC(CC(C3)C2)C1)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5592 |
| logD: | 4.5592 |
| logSw: | -4.2863 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.797 |
| InChI Key: | BWFDCTPRWWBZFE-YMJVSDDVSA-N |