N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-4401 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(difluoromethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 370.72 |
| Molecular Formula: | C14 H10 Cl F3 N6 O |
| Smiles: | C(c1ccc(cc1[Cl])F)n1cnc(NC(c2ccn(C(F)F)n2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2517 |
| logD: | 2.2302 |
| logSw: | -3.2104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.313 |
| InChI Key: | XEIQTCFFKKNRAL-UHFFFAOYSA-N |