4-ethyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-ethyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
4-ethyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5262 |
| Compound Name: | 4-ethyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C16 H18 N6 O2 S2 |
| Smiles: | CCn1c(c2csc3CCCCc23)nnc1SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4522 |
| logD: | 3.4486 |
| logSw: | -3.7771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.191 |
| InChI Key: | RCHFGFHXHQEBCW-UHFFFAOYSA-N |