2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0016 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 362.79 |
| Molecular Formula: | C14 H11 Cl N6 O2 S |
| Smiles: | C(C(Nc1nnc[nH]1)=O)SC1NC(C=C(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6317 |
| logD: | 0.1825 |
| logSw: | -2.656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.516 |
| InChI Key: | NBTTZYXDYSABFA-UHFFFAOYSA-N |