methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M018-0205 |
| Compound Name: | methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | CC(Nc1c(c2ccc(C)c(c2)S(Nc2ccc(cc2)C(=O)OC)(=O)=O)c(C)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0033 |
| logD: | 1.3979 |
| logSw: | -3.4879 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.717 |
| InChI Key: | BLWFQRIPYRIXGA-UHFFFAOYSA-N |