N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y502-9825 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 467.91 |
| Molecular Formula: | C20 H15 Cl F N9 S |
| Smiles: | C(c1c(cccc1[Cl])F)n1ccc(Nc2nnc(Cn3nc(c4ccccc4)nn3)s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3264 |
| logD: | 4.3261 |
| logSw: | -4.5949 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.25 |
| InChI Key: | VFSHLIRVWSTLJF-UHFFFAOYSA-N |