2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0050 |
| Compound Name: | 2-{[3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C18 H13 F N6 O2 S |
| Smiles: | C(C(Nc1nnc[nH]1)=O)SC1=Nc2ccccc2C(N1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7164 |
| logD: | 0.702 |
| logSw: | -2.3381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.146 |
| InChI Key: | PVRVTWKZUIBHHD-UHFFFAOYSA-N |