1-{4-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methylphenoxy)ethan-1-one
1-{4-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D434-0234 |
| Compound Name: | 1-{4-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(4-methylphenoxy)ethan-1-one |
| Molecular Weight: | 547.66 |
| Molecular Formula: | C33 H33 N5 O3 |
| Smiles: | CCOc1ccc(cc1)n1cc(c2ccccc2)c2c(ncnc12)N1CCN(CC1)C(COc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0157 |
| logD: | 5.9078 |
| logSw: | -5.8183 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.764 |
| InChI Key: | MKBLNESQWUGLTI-UHFFFAOYSA-N |