N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-(1-[4-(morpholin-4-yl)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-(1-[4-(morpholin-4-yl)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-(1-[4-(morpholin-4-yl)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)acetamide
Compound characteristics
| Compound ID: | D092-0141 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-(1-[4-(morpholin-4-yl)phenyl]-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)acetamide |
| Molecular Weight: | 598.66 |
| Molecular Formula: | C32 H34 N6 O6 |
| Smiles: | C1CC(CNC(C(c2ccc(cc2)N2CCOCC2)N(C(Cn2c3ccccc3nn2)=O)c2ccc3c(c2)OCO3)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4396 |
| logD: | 2.4392 |
| logSw: | -2.9686 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.396 |
| InChI Key: | AIZBGKGPPSZVBG-UHFFFAOYSA-N |