N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[2-(morpholin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[2-(morpholin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[2-(morpholin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0100 |
| Compound Name: | N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[2-(morpholin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 588.66 |
| Molecular Formula: | C28 H33 F N4 O7 S |
| Smiles: | C1CC(CNC(C(c2ccc(cc2)F)N(CCN2CCOCC2)C(CN2C(c3ccccc3S2(=O)=O)=O)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.3876 |
| logD: | 0.384 |
| logSw: | -2.3666 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.789 |
| InChI Key: | HARWKQGCUKWHSR-UHFFFAOYSA-N |