4-methyl-3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-methyl-3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
4-methyl-3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-4942 |
| Compound Name: | 4-methyl-3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C12 H12 N6 O2 S2 |
| Smiles: | Cc1cc(cs1)c1nnc(n1C)SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.097 |
| logD: | 2.0968 |
| logSw: | -2.097 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.356 |
| InChI Key: | JIWQKJPOVNYRRE-UHFFFAOYSA-N |