N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1855 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 467.9 |
| Molecular Formula: | C19 H17 Cl F3 N7 S |
| Smiles: | Cc1cc(C(F)(F)F)nn1CCc1nnc(Nc2ccn(Cc3ccccc3[Cl])n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4105 |
| logD: | 4.41 |
| logSw: | -4.4737 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.054 |
| InChI Key: | XQKOKUJVOKRIRR-UHFFFAOYSA-N |