methyl 4-({4-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate
methyl 4-({4-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | M026-0523 |
| Compound Name: | methyl 4-({4-[2-(3-methyl-4-propanamido-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C23 H23 N3 O6 S |
| Smiles: | CCC(Nc1c(C)noc1/C=C\c1ccc(cc1)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3718 |
| logD: | 2.9086 |
| logSw: | -3.7065 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.331 |
| InChI Key: | AAGRJJXJQGFPOE-UHFFFAOYSA-N |