1-[4-(4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one
1-[4-(4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | K405-0887 |
| Compound Name: | 1-[4-(4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazin-1-yl)phenyl]ethan-1-one |
| Molecular Weight: | 541.58 |
| Molecular Formula: | C31 H26 F3 N5 O |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)c1c2c(cn(c3cccc(c3)C(F)(F)F)c2ncn1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7757 |
| logD: | 6.3637 |
| logSw: | -5.9767 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.299 |
| InChI Key: | SVXRQZJXKWDOEJ-UHFFFAOYSA-N |