3-(3-chlorophenyl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3-chlorophenyl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
3-(3-chlorophenyl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5826 |
| Compound Name: | 3-(3-chlorophenyl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 350.78 |
| Molecular Formula: | C13 H11 Cl N6 O2 S |
| Smiles: | Cn1c(c2cccc(c2)[Cl])nnc1SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7108 |
| logD: | 2.7108 |
| logSw: | -3.4419 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.338 |
| InChI Key: | XJHGAIIMVPRKQR-UHFFFAOYSA-N |