3-(4-butoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-butoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(4-butoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-2369 |
| Compound Name: | 3-(4-butoxyphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 397.51 |
| Molecular Formula: | C22 H24 F N3 O S |
| Smiles: | CCCCOc1ccc(cc1)c1nnc(n1CC=C)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.8271 |
| logD: | 5.8271 |
| logSw: | -5.4612 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.637 |
| InChI Key: | OVWIBWGMNYISQK-UHFFFAOYSA-N |