5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-1,3,4-thiadiazol-2-amine
5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-2011 |
| Compound Name: | 5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 451.29 |
| Molecular Formula: | C16 H12 Cl2 N8 O2 S |
| Smiles: | C(c1ccccc1[Cl])n1ccc(Nc2nnc(Cn3cc(c(n3)[N+]([O-])=O)[Cl])s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6319 |
| logD: | 3.6314 |
| logSw: | -3.9014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.743 |
| InChI Key: | LALOSMBCEQVTTD-UHFFFAOYSA-N |