4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4669 |
| Compound Name: | 4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C31 H32 N4 O4 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)[N+]([O-])=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3444 |
| logD: | 5.3444 |
| logSw: | -5.6145 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.6 |
| InChI Key: | CJMPPPBXGOAEED-UHFFFAOYSA-N |