2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide
Chemical Structure Depiction of
2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide
2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide
Compound characteristics
| Compound ID: | D302-0194 |
| Compound Name: | 2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy}acetamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C22 H24 N6 O4 S |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(c3ccc(c(c3)OC)OCC(N)=O)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1147 |
| logD: | 0.9701 |
| logSw: | -2.2978 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.137 |
| InChI Key: | CCQGGFPIEPXMLL-HXUWFJFHSA-N |