N-benzyl-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4726 |
| Compound Name: | N-benzyl-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C30 H30 N4 O4 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)[N+]([O-])=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1708 |
| logD: | 5.1708 |
| logSw: | -5.3453 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.758 |
| InChI Key: | ZBELZPFAQSHLSL-UHFFFAOYSA-N |