ethyl 3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
ethyl 3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0003 |
| Compound Name: | ethyl 3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | CCOC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4319 |
| logD: | 5.4319 |
| logSw: | -5.3476 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.906 |
| InChI Key: | PXPDWUOJDANQTK-UHFFFAOYSA-N |