N,3-dicyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N,3-dicyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N,3-dicyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016117 |
| Compound Name: | N,3-dicyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Smiles: | C1CCC(CC1)NC(c1ccc2C(N(C3CCCCC3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8502 |
| logD: | 5.8502 |
| logSw: | -5.8143 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.513 |
| InChI Key: | UJNLIJQOSUWHLK-UHFFFAOYSA-N |