N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3937 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C18 H17 Cl F3 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1C)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4878 |
| logD: | 3.4551 |
| logSw: | -3.9944 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.376 |
| InChI Key: | LRWBGRJFUFGYAC-UHFFFAOYSA-N |