3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5179 |
| Compound Name: | 3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C18 H20 N6 O2 S2 |
| Smiles: | CC1CCc2c(csc2C1)c1nnc(n1CC=C)SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0979 |
| logD: | 4.0979 |
| logSw: | -4.2259 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.445 |
| InChI Key: | FLPPGTYNSPRLJI-GFCCVEGCSA-N |