1-[3-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
Chemical Structure Depiction of
1-[3-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
1-[3-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one
Compound characteristics
| Compound ID: | 6781-0119 |
| Compound Name: | 1-[3-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethan-1-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CC(c1ccc(c(CSc2nnc(c3cc4ccccc4o3)n2CC=C)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9594 |
| logD: | 4.9594 |
| logSw: | -5.2649 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.969 |
| InChI Key: | UUASBTMWUIPXGB-UHFFFAOYSA-N |