3-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole
3-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6315 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 392.34 |
| Molecular Formula: | C16 H14 Br N3 S2 |
| Smiles: | C=CCn1c(c2cccs2)nnc1SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0746 |
| logD: | 5.0746 |
| logSw: | -5.1332 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.2375 |
| InChI Key: | FIUGLMNDSZZNNW-UHFFFAOYSA-N |