2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0041 |
| Compound Name: | 2-{[4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC(Nc1nnc[nH]1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3777 |
| logD: | 1.3633 |
| logSw: | -2.3289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.736 |
| InChI Key: | MZEPMUNSUZYOKV-UHFFFAOYSA-N |