ethyl 5-ethyl-2-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-ethyl-2-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]thiophene-3-carboxylate
ethyl 5-ethyl-2-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6132-0010 |
| Compound Name: | ethyl 5-ethyl-2-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]thiophene-3-carboxylate |
| Molecular Weight: | 436.5 |
| Molecular Formula: | C19 H20 N2 O6 S2 |
| Smiles: | CCc1cc(C(=O)OCC)c(NC(CCN2C(c3ccccc3S2(=O)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5002 |
| logD: | 1.1424 |
| logSw: | -3.0286 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.859 |
| InChI Key: | ZPUZOWGZNSKJSB-UHFFFAOYSA-N |