ethyl 4,5-dimethyl-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 4,5-dimethyl-2-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6132-0012 |
| Compound Name: | ethyl 4,5-dimethyl-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: | CCOC(c1c(C)c(C)sc1NC(CCN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1024 |
| logD: | -0.3346 |
| logSw: | -2.9516 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.859 |
| InChI Key: | UEVHLXLFYXDWNY-UHFFFAOYSA-N |