N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015508 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 568.61 |
| Molecular Formula: | C30 H24 N4 O6 S |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6039 |
| logD: | 4.6014 |
| logSw: | -4.4945 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.893 |
| InChI Key: | OXFHKBNRSVJJST-UHFFFAOYSA-N |