methyl 2-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 2-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)carbamamido]benzoate
methyl 2-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)carbamamido]benzoate
Compound characteristics
| Compound ID: | Y205-2440 |
| Compound Name: | methyl 2-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-yl)carbamamido]benzoate |
| Molecular Weight: | 419.36 |
| Molecular Formula: | C19 H16 F3 N5 O3 |
| Smiles: | COC(c1ccccc1NC(Nc1ncn(Cc2cccc(c2)C(F)(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8182 |
| logD: | 3.8168 |
| logSw: | -4.1498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.239 |
| InChI Key: | KPYAHFSAEVJRBC-UHFFFAOYSA-N |