3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V013-7733 |
| Compound Name: | 3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C19 H18 F N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(CSc2nnc(c3ccc(cc3)F)n2CC=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3772 |
| logD: | 4.3772 |
| logSw: | -4.3271 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.763 |
| InChI Key: | BJLQOTTXIHRSQD-UHFFFAOYSA-N |