2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-7-oxo-3-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-7-oxo-3-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-7-oxo-3-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Compound characteristics
Compound ID: | D302-0153 |
Compound Name: | 2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-7-oxo-3-phenyl-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide |
Molecular Weight: | 500.58 |
Molecular Formula: | C26 H24 N6 O3 S |
Smiles: | Cc1cc(C)nc(n1)n1c2c(C(c3ccc(cc3)OCC(N)=O)SCC(N2)=O)c(c2ccccc2)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7841 |
logD: | 2.7833 |
logSw: | -3.345 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 97.342 |
InChI Key: | ZACUUSPJWWSLRH-XMMPIXPASA-N |