3-benzyl-N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015716 |
| Compound Name: | 3-benzyl-N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C31 H26 N4 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4748 |
| logD: | 6.4747 |
| logSw: | -5.599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.244 |
| InChI Key: | WNKCNCVDFKEBRA-UHFFFAOYSA-N |