2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | G865-0007 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one |
| Molecular Weight: | 552.45 |
| Molecular Formula: | C26 H22 Br N3 O4 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccc(cc2)[Br])nnc1SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4146 |
| logD: | 5.4146 |
| logSw: | -5.3961 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.906 |
| InChI Key: | WWWNBPLSEHKOGP-UHFFFAOYSA-N |