N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1-ethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1-ethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1-ethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y502-9914 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1-ethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 448.86 |
| Molecular Formula: | C17 H14 Cl F N8 O2 S |
| Smiles: | CCn1cc(c(c2nnc(Nc3ccn(Cc4c(cccc4[Cl])F)n3)s2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5781 |
| logD: | 3.5781 |
| logSw: | -3.9205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.509 |
| InChI Key: | XUSDCGOEOGVIGN-UHFFFAOYSA-N |