N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0088 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 555.58 |
| Molecular Formula: | C27 H26 F N3 O7 S |
| Smiles: | C1CC(CNC(C(c2ccco2)N(Cc2ccc(cc2)F)C(CN2C(c3ccccc3S2(=O)=O)=O)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3404 |
| logD: | 1.3404 |
| logSw: | -2.3714 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.498 |
| InChI Key: | LAWFSAQGLPPLSE-UHFFFAOYSA-N |