methyl 4-{[N-(thiophene-2-sulfonyl)methionyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[N-(thiophene-2-sulfonyl)methionyl]amino}benzoate
methyl 4-{[N-(thiophene-2-sulfonyl)methionyl]amino}benzoate
Compound characteristics
Compound ID: | C274-1924 |
Compound Name: | methyl 4-{[N-(thiophene-2-sulfonyl)methionyl]amino}benzoate |
Molecular Weight: | 428.55 |
Molecular Formula: | C17 H20 N2 O5 S3 |
Smiles: | COC(c1ccc(cc1)NC(C(CCSC)NS(c1cccs1)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9844 |
logD: | 2.9839 |
logSw: | -3.5315 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.396 |
InChI Key: | RMZBJKLFZUQOAG-AWEZNQCLSA-N |