2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0063 |
| Compound Name: | 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C20 H18 N6 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C(=Nc2ccccc2C1=O)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.345 |
| logD: | 0.3305 |
| logSw: | -2.4892 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.407 |
| InChI Key: | TXMVBKCGSUNURS-UHFFFAOYSA-N |