N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)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-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0098 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N-[2-oxo-2-{[(oxolan-2-yl)methyl]amino}-1-(pyridin-4-yl)ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 578.64 |
| Molecular Formula: | C29 H30 N4 O7 S |
| Smiles: | COc1cccc(CN(C(C(NCC2CCCO2)=O)c2ccncc2)C(CN2C(c3ccccc3S2(=O)=O)=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.008 |
| logD: | 0.9959 |
| logSw: | -2.3131 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.891 |
| InChI Key: | IFZCJXZATINISS-UHFFFAOYSA-N |