3-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-sulfanylquinazolin-4(3H)-one
3-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-4467 |
| Compound Name: | 3-{1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C17 H12 F N5 O S |
| Smiles: | C(c1ccc(cc1)F)n1cnc(n1)N1C(=Nc2ccccc2C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 2.2182 |
| logD: | -2.0813 |
| logSw: | -2.8633 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.952 |
| InChI Key: | VTUOOKRQPTWVJR-UHFFFAOYSA-N |