N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0103 |
| Compound Name: | N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-(4-methoxyphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 581.62 |
| Molecular Formula: | C29 H28 F N3 O7 S |
| Smiles: | COc1ccc(cc1)N(C(C(NCC1CCCO1)=O)c1ccc(cc1)F)C(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0959 |
| logD: | 2.0959 |
| logSw: | -2.9835 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.983 |
| InChI Key: | KSJKHNJEQMBFBV-UHFFFAOYSA-N |