methyl 2-{[N-(4-methoxy-3-methylbenzene-1-sulfonyl)alanyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[N-(4-methoxy-3-methylbenzene-1-sulfonyl)alanyl]amino}benzoate
methyl 2-{[N-(4-methoxy-3-methylbenzene-1-sulfonyl)alanyl]amino}benzoate
Compound characteristics
| Compound ID: | Y050-1087 |
| Compound Name: | methyl 2-{[N-(4-methoxy-3-methylbenzene-1-sulfonyl)alanyl]amino}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C19 H22 N2 O6 S |
| Smiles: | CC(C(Nc1ccccc1C(=O)OC)=O)NS(c1ccc(c(C)c1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9794 |
| logD: | 2.8507 |
| logSw: | -3.5634 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.842 |
| InChI Key: | HIJLZPSAMDMVLZ-ZDUSSCGKSA-N |