N-benzyl-3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016101 |
| Compound Name: | N-benzyl-3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | C1CCC(CC1)N1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5176 |
| logD: | 5.5175 |
| logSw: | -5.766 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.787 |
| InChI Key: | CYEXYLFHNVAICY-UHFFFAOYSA-N |