3-(3-methoxy-5-nitrophenyl)-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-methoxy-5-nitrophenyl)-2-sulfanylquinazolin-4(3H)-one
3-(3-methoxy-5-nitrophenyl)-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y508-4845 |
| Compound Name: | 3-(3-methoxy-5-nitrophenyl)-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 329.33 |
| Molecular Formula: | C15 H11 N3 O4 S |
| Smiles: | COc1cc(cc(c1)N1C(=Nc2ccccc2C1=O)S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3982 |
| logD: | -3.0635 |
| logSw: | -2.8151 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.863 |
| InChI Key: | KKMKFFFRULWTSF-UHFFFAOYSA-N |