N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1196 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(4-chloro-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 483.31 |
| Molecular Formula: | C17 H13 Cl2 F N8 O2 S |
| Smiles: | C(Cn1cc(c(n1)[N+]([O-])=O)[Cl])c1nnc(Nc2ccn(Cc3c(cccc3[Cl])F)n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.917 |
| logD: | 3.9166 |
| logSw: | -4.3939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.721 |
| InChI Key: | ABWGKHVOYFBEFV-UHFFFAOYSA-N |