N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Compound characteristics
Compound ID: | K405-0095 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(4-chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
Molecular Weight: | 454.91 |
Molecular Formula: | C26 H19 Cl N4 O2 |
Smiles: | [H]N(Cc1ccc2c(c1)OCO2)c1c2c(cn(c3ccc(cc3)[Cl])c2ncn1)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 6.0315 |
logD: | 5.9944 |
logSw: | -6.3893 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.817 |
InChI Key: | UKIZVOVOTIZFKB-UHFFFAOYSA-N |