methyl 4-({5-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate
methyl 4-({5-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | M331-0205 |
| Compound Name: | methyl 4-({5-[2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C20 H19 N3 O6 S2 |
| Smiles: | CC(Nc1c(C)noc1/C=C/c1ccc(s1)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4192 |
| logD: | 2.3057 |
| logSw: | -2.8466 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.462 |
| InChI Key: | UYKGJWZJPHBNBB-UHFFFAOYSA-N |