N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1847 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 479.35 |
| Molecular Formula: | C18 H16 Cl2 N8 O2 S |
| Smiles: | Cc1c(cn(CCc2nnc(Nc3ccn(Cc4c(cccc4[Cl])[Cl])n3)s2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0383 |
| logD: | 4.0378 |
| logSw: | -4.2341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.064 |
| InChI Key: | XXZMPUZEORSMGB-UHFFFAOYSA-N |