N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K284-4805 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 603.78 |
| Molecular Formula: | C33 H41 N5 O4 S |
| Smiles: | C1CC(CNC(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(N2CCN(CC2)c2ccccc2)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6058 |
| logD: | 3.6058 |
| logSw: | -3.8479 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.998 |
| InChI Key: | YLGDDPPAYJZLTA-JYPDZDFGSA-N |