N-cyclohexyl-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-cyclohexyl-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-cyclohexyl-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: | F019-5741 |
| Compound Name: | N-cyclohexyl-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: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | COc1cccc2cc(c3nnc(n3CC=C)SCC(NC3CCCCC3)=O)oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1871 |
| logD: | 4.1871 |
| logSw: | -4.315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.572 |
| InChI Key: | VJTAKASQZIFKCY-UHFFFAOYSA-N |