N-benzyl-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4727 |
| Compound Name: | N-benzyl-4-{[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 609.79 |
| Molecular Formula: | C35 H39 N5 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(N1CCN(CC1)c1ccccc1)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8188 |
| logD: | 4.8188 |
| logSw: | -4.8019 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.029 |
| InChI Key: | KYVGCDOPBLVRKI-UHFFFAOYSA-N |