ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L850-1782 |
| Compound Name: | ethyl 4-(2-{[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2nc(c3ccccc3)no2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9849 |
| logD: | 3.9848 |
| logSw: | -3.9871 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.631 |
| InChI Key: | LFAICXOXPVTGLS-UHFFFAOYSA-N |