3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-6023 |
| Compound Name: | 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-(2-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C21 H22 Br N3 O2 S |
| Smiles: | CCOc1ccccc1c1nnc(n1CC=C)SCc1ccc(c(c1)[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 5.1822 |
| logD: | 5.1822 |
| logSw: | -5.0634 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.06 |
| InChI Key: | INXJCCYPXKEKAF-UHFFFAOYSA-N |