3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole
3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y502-0320 |
| Compound Name: | 3-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C16 H19 Cl N8 O3 S |
| Smiles: | CCn1cc(c(c2nnc(n2CC2CCCO2)SCn2cc(cn2)[N+]([O-])=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.463 |
| logD: | 1.463 |
| logSw: | -2.4782 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 93.959 |
| InChI Key: | DMJSHHVECIUILJ-GFCCVEGCSA-N |