N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1171 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C18 H17 Cl F N7 S |
| Smiles: | Cc1cc(C)n(Cc2nnc(Nc3ccn(Cc4c(cccc4[Cl])F)n3)s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2329 |
| logD: | 3.2291 |
| logSw: | -3.564 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.882 |
| InChI Key: | FPLBNWJKZYKSLX-UHFFFAOYSA-N |