2-({4-(4-bromophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-({4-(4-bromophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
2-({4-(4-bromophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K400-08039 |
| Compound Name: | 2-({4-(4-bromophenyl)-5-[(2-phenoxyacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 582.48 |
| Molecular Formula: | C26 H24 Br N5 O4 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNC(COc2ccccc2)=O)n1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2734 |
| logD: | 4.2734 |
| logSw: | -4.2465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.352 |
| InChI Key: | QGVMWMMAASHFRO-UHFFFAOYSA-N |