2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8006-5277 |
| Compound Name: | 2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-3-phenylquinazolin-4(3H)-one |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | COc1ccc(CSC2=Nc3ccccc3C(N2c2ccccc2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5326 |
| logD: | 3.5324 |
| logSw: | -3.9254 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.87 |
| InChI Key: | PAYXWJVFTGMIFS-UHFFFAOYSA-N |