2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | 6681-0025 |
| Compound Name: | 2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C18 H16 N2 O6 S2 |
| Smiles: | C1CCc2c(C1)c(C(O)=O)c(NC(CN1C(c3ccccc3S1(=O)=O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.8828 |
| logD: | -1.0119 |
| logSw: | -2.8309 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.456 |
| InChI Key: | OJIPYKKUNJFVGH-UHFFFAOYSA-N |