N-(3-chlorophenyl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine--sulfuric acid (1/1)
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine--sulfuric acid (1/1)
N-(3-chlorophenyl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine--sulfuric acid (1/1)
Compound characteristics
| Compound ID: | Y508-6861 |
| Compound Name: | N-(3-chlorophenyl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine--sulfuric acid (1/1) |
| Molecular Weight: | 462.89 |
| Molecular Formula: | C14 H13 Cl N6 O2 S |
| Salt: | H2SO4 |
| Smiles: | Cc1c(c(C)n(Cc2nnc(Nc3cccc(c3)[Cl])s2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5129 |
| logD: | 3.5129 |
| logSw: | -3.911 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.253 |
| InChI Key: | QABWZDMMNPHKKF-UHFFFAOYSA-N |