4-{3-[2-(4-methoxyanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[2-(4-methoxyanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile
4-{3-[2-(4-methoxyanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
Compound ID: | M373-0236 |
Compound Name: | 4-{3-[2-(4-methoxyanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile |
Molecular Weight: | 413.48 |
Molecular Formula: | C24 H23 N5 O2 |
Smiles: | COc1ccc(cc1)Nc1nccc(C2CCCN(C2)C(c2ccc(C#N)cc2)=O)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5507 |
logD: | 3.55 |
logSw: | -3.6679 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.199 |
InChI Key: | JRGMNGCIICEVGU-IBGZPJMESA-N |