2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide
Compound characteristics
| Compound ID: | 8007-7086 |
| Compound Name: | 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1)SCC(NCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6126 |
| logD: | 4.6126 |
| logSw: | -4.3565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.987 |
| InChI Key: | BKXWEGVTESQFRH-UHFFFAOYSA-N |