(2R,6S)-4-{1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl}-2,6-dimethylmorpholine

• ChemBase ID: 524417
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: N1(C2CCN(c3nnc(c4c(OC)cccc4)cc3)CC2)C[C@@H](O[C@@H](C1)C)C
• Canonical SMILES: COc1ccccc1c1ccc(nn1)N1CCC(CC1)N1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C22H30N4O2/c1-16-14-26(15-17(2)28-16)18-10-12-25(13-11-18)22-9-8-20(23-24-22)19-6-4-5-7-21(19)27-3/h4-9,16-18H,10-15H2,1-3H3/t16-,17+
• InChIKey: ARXSZQCLHCXDHL-CALCHBBNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-4-{1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl}-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-4-{1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl}-2,6-dimethylmorpholine
• Synonyms: (2R*,6S*)-4-{1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl}-2,6-dimethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.51799333
• LogD (pH = 7.4): 2.2846708
• Log P: 2.9951649
• Molar Refractivity: 113.0971 cm^3
• Polarizability: 44.18359 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.22
• LOG S: -2.88
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 4