N-[4-(4-chlorophenoxy)phenyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-[4-(4-chlorophenoxy)phenyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N-[4-(4-chlorophenoxy)phenyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Compound characteristics
Compound ID: | K402-0197 |
Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Molecular Weight: | 413.86 |
Molecular Formula: | C23 H16 Cl N5 O |
Smiles: | c1ccc(cc1)n1c2c(cn1)c(Nc1ccc(cc1)Oc1ccc(cc1)[Cl])ncn2 |
Stereo: | ACHIRAL |
logP: | 6.2605 |
logD: | 6.2604 |
logSw: | -6.4498 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.775 |
InChI Key: | XRIVMMLJUQCRBD-UHFFFAOYSA-N |