3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5196 |
| Compound Name: | 3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C18 H22 N6 O2 S2 |
| Smiles: | CCCn1c(c2csc3CC(C)CCc23)nnc1SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3436 |
| logD: | 4.3425 |
| logSw: | -4.2731 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.445 |
| InChI Key: | UQDGMTLRYKLSND-GFCCVEGCSA-N |