4-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
4-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | K405-1192 |
| Compound Name: | 4-[4-(4-nitrophenyl)piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine |
| Molecular Weight: | 544.54 |
| Molecular Formula: | C29 H23 F3 N6 O2 |
| Smiles: | C1CN(CCN1c1ccc(cc1)[N+]([O-])=O)c1c2c(cn(c3cccc(c3)C(F)(F)F)c2ncn1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1593 |
| logD: | 6.7472 |
| logSw: | -6.5779 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.854 |
| InChI Key: | KMNRJKDKOMKXGF-UHFFFAOYSA-N |