N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1173 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 448.86 |
| Molecular Formula: | C17 H14 Cl F N8 O2 S |
| Smiles: | Cc1cc(nn1Cc1nnc(Nc2ccn(Cc3c(cccc3[Cl])F)n2)s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0733 |
| logD: | 3.073 |
| logSw: | -3.5818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.921 |
| InChI Key: | LHRPLDBYSLZDFB-UHFFFAOYSA-N |