3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0041 |
| Compound Name: | 3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6017 |
| logD: | 4.6017 |
| logSw: | -4.3848 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.812 |
| InChI Key: | RNCXHXMTJMSPOR-UHFFFAOYSA-N |