N-[(3-methoxyphenyl)methyl]-N-[1-(3-methoxyphenyl)-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-[(3-methoxyphenyl)methyl]-N-[1-(3-methoxyphenyl)-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-[(3-methoxyphenyl)methyl]-N-[1-(3-methoxyphenyl)-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: | D092-0094 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N-[1-(3-methoxyphenyl)-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: | 607.68 |
| Molecular Formula: | C31 H33 N3 O8 S |
| Smiles: | COc1cccc(CN(C(C(NCC2CCCO2)=O)c2cccc(c2)OC)C(CN2C(c3ccccc3S2(=O)=O)=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.186 |
| logD: | 2.1859 |
| logSw: | -3.0276 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.007 |
| InChI Key: | ZBJYOHYPZBHRRD-UHFFFAOYSA-N |