3-{[(4-bromophenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-2368 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-4-propyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 448.45 |
| Molecular Formula: | C20 H22 Br N3 S2 |
| Smiles: | CCCn1c(c2csc3CCCCc23)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.2332 |
| logD: | 6.2323 |
| logSw: | -5.6237 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1581 |
| InChI Key: | KLVNONOIYSRUSH-UHFFFAOYSA-N |