N-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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: | D092-0102 |
Compound Name: | N-[(2-chlorophenyl)methyl]-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: | 583.06 |
Molecular Formula: | C28 H27 Cl N4 O6 S |
Smiles: | C1CC(CNC(C(c2ccncc2)N(Cc2ccccc2[Cl])C(CN2C(c3ccccc3S2(=O)=O)=O)=O)=O)OC1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.771 |
logD: | 1.759 |
logSw: | -3.1217 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 102.348 |
InChI Key: | AAPMPJKZWNULAR-UHFFFAOYSA-N |