N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Chemical Structure Depiction of
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Compound characteristics
| Compound ID: | A0062276 |
| Compound Name: | N-{[5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(COc2ccccc2)=O)nnc1SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9251 |
| logD: | 3.9251 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.206 |
| InChI Key: | QOZDGKHBBZQJCC-UHFFFAOYSA-N |