N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1840 |
| Compound Name: | N-{1-[(2,6-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 451.29 |
| Molecular Formula: | C16 H12 Cl2 N8 O2 S |
| Smiles: | C(c1c(cccc1[Cl])[Cl])n1ccc(Nc2nnc(Cn3cc(cn3)[N+]([O-])=O)s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6048 |
| logD: | 3.6043 |
| logSw: | -3.7694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.034 |
| InChI Key: | PPEPCCINZZPOOP-UHFFFAOYSA-N |