2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C592-3864 |
| Compound Name: | 2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C18 H17 F3 N6 O S2 |
| Smiles: | C=CCn1c(Cc2csc(N)n2)nnc1SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9372 |
| logD: | 2.7762 |
| logSw: | -3.6764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.946 |
| InChI Key: | HHJPKRBWQKPZHT-UHFFFAOYSA-N |