2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethan-1-one
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | G865-0009 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8794 |
| logD: | 4.8794 |
| logSw: | -4.5692 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.815 |
| InChI Key: | SLAZWJKDJAIICJ-UHFFFAOYSA-N |