2-({4-(3-chlorophenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({4-(3-chlorophenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-({4-(3-chlorophenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K400-07733 |
| Compound Name: | 2-({4-(3-chlorophenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 560 |
| Molecular Formula: | C26 H21 Cl F3 N5 O2 S |
| Smiles: | C(C(NCc1nnc(n1c1cccc(c1)[Cl])SCC(Nc1ccccc1C(F)(F)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6036 |
| logD: | 4.6036 |
| logSw: | -4.7606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.612 |
| InChI Key: | ASGJPXIHDMRXOB-UHFFFAOYSA-N |