ethyl 3-{2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8014-7006 |
| Compound Name: | ethyl 3-{2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1nnc(Cc2ccccc2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0808 |
| logD: | 5.0808 |
| logSw: | -4.9299 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.592 |
| InChI Key: | DKAPPEXJCRMNGQ-UHFFFAOYSA-N |