1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D434-0321 |
| Compound Name: | 1-{4-[7-(2-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 538.05 |
| Molecular Formula: | C31 H28 Cl N5 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CCN(CC1)c1c2c(cn(c3ccccc3[Cl])c2ncn1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1054 |
| logD: | 5.9975 |
| logSw: | -5.9894 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.339 |
| InChI Key: | KRDBRLMUJZZTOM-UHFFFAOYSA-N |