N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3-methyl-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-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y507-2112 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 403.87 |
| Molecular Formula: | C17 H15 Cl F N7 S |
| Smiles: | Cc1ccn(Cc2nnc(Nc3ccn(Cc4c(cccc4[Cl])F)n3)s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1496 |
| logD: | 3.1488 |
| logSw: | -3.5587 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.342 |
| InChI Key: | GLJJEMRCALBHPZ-UHFFFAOYSA-N |