methyl 4-({5-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate
methyl 4-({5-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | M331-0523 |
| Compound Name: | methyl 4-({5-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonyl}amino)benzoate |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C21 H21 N3 O6 S2 |
| Smiles: | CCC(Nc1c(C)noc1/C=C/c1ccc(s1)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.345 |
| logD: | 3.2315 |
| logSw: | -3.5759 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.35 |
| InChI Key: | IDZJKKAWKROAQJ-UHFFFAOYSA-N |