methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methoxybenzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methoxybenzene-1-sulfonyl]amino}benzoate
methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methoxybenzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M018-0841 |
| Compound Name: | methyl 4-{[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methoxybenzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H21 N3 O7 S |
| Smiles: | CC(Nc1c(c2ccc(c(c2)S(Nc2ccc(cc2)C(=O)OC)(=O)=O)OC)c(C)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4627 |
| logD: | 1.5182 |
| logSw: | -3.0588 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.347 |
| InChI Key: | MLMBZQZCMQFUHG-UHFFFAOYSA-N |