methyl 6-methyl-2-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5697-0353 |
| Compound Name: | methyl 6-methyl-2-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C21 H22 N2 O4 S2 |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(CC3C(Nc4ccccc4S3)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8553 |
| logD: | 0.9235 |
| logSw: | -4.3201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.883 |
| InChI Key: | SBKQAXUBRATXQE-UHFFFAOYSA-N |