N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(5-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-[2-(5-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-[2-(5-methyl-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1877 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[2-(5-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: | Cc1c(cnn1CCc1nnc(Nc2ccn(Cc3c(cccc3[Cl])F)n2)s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4675 |
| logD: | 3.4672 |
| logSw: | -3.8588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.135 |
| InChI Key: | FMIOIXYBSIMOMQ-UHFFFAOYSA-N |