ethyl 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
ethyl 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
ethyl 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: | 6134-2986 |
| Compound Name: | ethyl 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: | 448.52 |
| Molecular Formula: | C20 H20 N2 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5767 |
| logD: | 0.7705 |
| logSw: | -3.1023 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.802 |
| InChI Key: | GCYKCDUVYWTTJG-UHFFFAOYSA-N |