N~1~,N~1~-dimethyl-N~4~-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine
Chemical Structure Depiction of
N~1~,N~1~-dimethyl-N~4~-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine
N~1~,N~1~-dimethyl-N~4~-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine
Compound characteristics
| Compound ID: | K405-1083 |
| Compound Name: | N~1~,N~1~-dimethyl-N~4~-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}benzene-1,4-diamine |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C27 H22 F3 N5 |
| Smiles: | [H]N(c1ccc(cc1)N(C)C)c1c2c(cn(c3cccc(c3)C(F)(F)F)c2ncn1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8698 |
| logD: | 6.8362 |
| logSw: | -6.4659 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.184 |
| InChI Key: | MABYUGVYODFUAR-UHFFFAOYSA-N |