3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0407 |
| Compound Name: | 3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CC(C)CN1C(=Nc2cc(ccc2C1=O)C(NC(C)C)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0269 |
| logD: | 4.0269 |
| logSw: | -4.2169 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.083 |
| InChI Key: | IWRTVBHUHQSKNP-UHFFFAOYSA-N |