2-{[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
2-{[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K284-4680 |
| Compound Name: | 2-{[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 577.75 |
| Molecular Formula: | C34 H35 N5 O2 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccccc1C#N)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8735 |
| logD: | 5.8735 |
| logSw: | -5.931 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.928 |
| InChI Key: | CKCKXGKEBXCUAZ-UHFFFAOYSA-N |