N-benzyl-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-5759 |
| Compound Name: | N-benzyl-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | COc1cccc2cc(c3nnc(n3CC=C)SCC(NCc3ccccc3)=O)oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.9725 |
| logD: | 3.9725 |
| logSw: | -4.1296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.847 |
| InChI Key: | WSSGFLZROVYJCA-UHFFFAOYSA-N |