methyl 2-[2-(4-methylbenzene-1-sulfonyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-methylbenzene-1-sulfonyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(4-methylbenzene-1-sulfonyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | G856-7192 |
| Compound Name: | methyl 2-[2-(4-methylbenzene-1-sulfonyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C19 H21 N O5 S2 |
| Smiles: | Cc1ccc(cc1)S(CC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3357 |
| logD: | 0.8553 |
| logSw: | -3.8644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.041 |
| InChI Key: | BDVUCZOOAOAGJY-UHFFFAOYSA-N |