3-{[(3-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6628 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 376.27 |
| Molecular Formula: | C16 H14 Br N3 O S |
| Smiles: | C=CCn1c(c2ccco2)nnc1SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3037 |
| logD: | 4.3037 |
| logSw: | -4.4696 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.798 |
| InChI Key: | PSVGWAZXCGLECE-UHFFFAOYSA-N |