N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0167 |
| Compound Name: | N-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1321 |
| logD: | 5.1321 |
| logSw: | -4.9528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.816 |
| InChI Key: | NCEVVZIDZUAXGE-UHFFFAOYSA-N |