3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y202-8286 |
| Compound Name: | 3-(5-methylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C14 H16 N6 O2 S2 |
| Smiles: | CCCn1c(c2cc(C)sc2)nnc1SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.169 |
| logD: | 3.1688 |
| logSw: | -3.2284 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.525 |
| InChI Key: | CBNABOKZPVXBIL-UHFFFAOYSA-N |