N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)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]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0086 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 622.7 |
| Molecular Formula: | C31 H34 N4 O8 S |
| Smiles: | COc1ccc(CCN(C(C(NCC2CCCO2)=O)c2ccncc2)C(CN2C(c3ccccc3S2(=O)=O)=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9386 |
| logD: | 0.9265 |
| logSw: | -2.3293 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.587 |
| InChI Key: | GWCXYTXLDUYJKB-UHFFFAOYSA-N |