5-phenyl-N-(prop-2-en-1-yl)-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Chemical Structure Depiction of
5-phenyl-N-(prop-2-en-1-yl)-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
5-phenyl-N-(prop-2-en-1-yl)-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Compound characteristics
Compound ID: | K405-0513 |
Compound Name: | 5-phenyl-N-(prop-2-en-1-yl)-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Molecular Weight: | 394.4 |
Molecular Formula: | C22 H17 F3 N4 |
Smiles: | [H]N(CC=C)c1c2c(cn(c3cccc(c3)C(F)(F)F)c2ncn1)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 5.4835 |
logD: | 5.4477 |
logSw: | -6.4226 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 33.814 |
InChI Key: | VVUDMWIXXLBNNL-UHFFFAOYSA-N |