N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-N-[(thiophen-2-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-N-[(thiophen-2-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-N-[(thiophen-2-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0097 |
| Compound Name: | N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-N-[(thiophen-2-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 554.64 |
| Molecular Formula: | C26 H26 N4 O6 S2 |
| Smiles: | C1CC(CNC(C(c2ccncc2)N(Cc2cccs2)C(CN2C(c3ccccc3S2(=O)=O)=O)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9227 |
| logD: | 0.9106 |
| logSw: | -2.121 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.366 |
| InChI Key: | WOWILPFOCUFWOT-UHFFFAOYSA-N |