N-[(furan-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-[(furan-2-yl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
N-[(furan-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: | K284-4504 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 599.75 |
| Molecular Formula: | C33 H37 N5 O4 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(NCc1ccco1)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.901 |
| logD: | 4.9009 |
| logSw: | -4.8061 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.092 |
| InChI Key: | BGVCIPFPPRYUPA-UHFFFAOYSA-N |