N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[(4-methoxyphenyl)methyl]-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)methyl]-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)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0101 |
| Compound Name: | N-[1-(4-fluorophenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-N-[(4-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 595.65 |
| Molecular Formula: | C30 H30 F N3 O7 S |
| Smiles: | COc1ccc(CN(C(C(NCC2CCCO2)=O)c2ccc(cc2)F)C(CN2C(c3ccccc3S2(=O)=O)=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1218 |
| logD: | 2.1218 |
| logSw: | -2.9522 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.463 |
| InChI Key: | AXXUIHPTPCMHLG-UHFFFAOYSA-N |