N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D034-0196 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | COc1ccc(CCNC(CN2C(c3ccccc3S2(=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.3544 |
| logD: | 0.3544 |
| logSw: | -2.4644 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.757 |
| InChI Key: | RFXFKRUQDNMIMN-UHFFFAOYSA-N |