3-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
3-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5827 |
| Compound Name: | 3-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C14 H16 N6 O2 S2 |
| Smiles: | CCc1c(csc1C)c1nnc(n1C)SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8536 |
| logD: | 2.8524 |
| logSw: | -3.2781 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.356 |
| InChI Key: | ZUSBPUDBXQDFFG-UHFFFAOYSA-N |