methyl 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-carboxylate
Chemical Structure Depiction of
methyl 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-carboxylate
methyl 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-carboxylate
Compound characteristics
| Compound ID: | 6423-2812 |
| Compound Name: | methyl 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-carboxylate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C19 H18 N2 O6 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1944 |
| logD: | 0.3882 |
| logSw: | -3.0017 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.222 |
| InChI Key: | ZNYNXPDMQYESQY-UHFFFAOYSA-N |