ethyl 3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoate
ethyl 3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoate
Compound characteristics
| Compound ID: | 8005-9271 |
| Compound Name: | ethyl 3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanoate |
| Molecular Weight: | 283.3 |
| Molecular Formula: | C12 H13 N O5 S |
| Smiles: | CCOC(CCN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7204 |
| logD: | 0.7204 |
| logSw: | -2.2744 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.592 |
| InChI Key: | XRHNRZAAXVKGNS-UHFFFAOYSA-N |