N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(thiophen-2-yl)acetamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(thiophen-2-yl)acetamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | C301-9440 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2-(thiophen-2-yl)acetamide |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C21 H17 Cl N4 O S2 |
| Smiles: | C(C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 4.2695 |
| logD: | 4.2695 |
| logSw: | -4.5158 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.267 |
| InChI Key: | PPLPZXVUZRDDHX-UHFFFAOYSA-N |