ethyl 4-methyl-3-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoate
Chemical Structure Depiction of
ethyl 4-methyl-3-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoate
ethyl 4-methyl-3-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoate
Compound characteristics
| Compound ID: | 8019-8732 |
| Compound Name: | ethyl 4-methyl-3-[(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]benzoate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | CCOC(c1ccc(C)c(CNC(CSc2nnc(c3ccncc3)n2C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2394 |
| logD: | 3.2381 |
| logSw: | -3.0959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.704 |
| InChI Key: | WIMMSKATAFXFJS-UHFFFAOYSA-N |