3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-8562 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 401.98 |
| Molecular Formula: | C20 H20 Cl N3 S2 |
| Smiles: | C=CCn1c(c2csc3CCCCc23)nnc1SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7484 |
| logD: | 5.7483 |
| logSw: | -6.2146 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1581 |
| InChI Key: | JYBUVMGNDQDZTE-UHFFFAOYSA-N |