2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 8014-4169 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C24 H22 N4 O2 S |
| Smiles: | C(c1ccccc1)n1c(COc2ccccc2)nnc1SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1914 |
| logD: | 4.1914 |
| logSw: | -4.2789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.594 |
| InChI Key: | MODMTJZRCKDPMH-UHFFFAOYSA-N |