N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1183 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(3-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 462.89 |
| Molecular Formula: | C18 H16 Cl F N8 O2 S |
| Smiles: | CC(c1nnc(Nc2ccn(Cc3c(cccc3[Cl])F)n2)s1)n1cc(c(C)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5504 |
| logD: | 3.5501 |
| logSw: | -3.8992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.395 |
| InChI Key: | IOZJGYASIOKETR-NSHDSACASA-N |