ethyl 3-[(2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
Chemical Structure Depiction of
ethyl 3-[(2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
ethyl 3-[(2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
Compound characteristics
| Compound ID: | 8018-0242 |
| Compound Name: | ethyl 3-[(2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C22 H23 F N4 O3 S |
| Smiles: | CCOC(c1ccc(C)c(CNC(CSc2nnc(c3ccc(cc3)F)n2C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5176 |
| logD: | 4.5176 |
| logSw: | -4.1949 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.276 |
| InChI Key: | KRDNXKOJSIESRR-UHFFFAOYSA-N |