3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(naphthalen-2-yl)-1,2,4-triazine

• ChemBase ID: 469278
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c1(N2C[C@@H](O[C@@H](C2)C)C)nc(c2cc3c(cc2)cccc3)cnn1
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)c1nncc(n1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H20N4O/c1-13-11-23(12-14(2)24-13)19-21-18(10-20-22-19)17-8-7-15-5-3-4-6-16(15)9-17/h3-10,13-14H,11-12H2,1-2H3/t13-,14+
• InChIKey: LOYOYJANRYQYEI-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(naphthalen-2-yl)-1,2,4-triazine
• IUPAC Traditional name: 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(naphthalen-2-yl)-1,2,4-triazine
• Synonyms: 3-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-5-(2-naphthyl)-1,2,4-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.493913
• LogD (pH = 7.4): 3.4939964
• Log P: 3.4939973
• Molar Refractivity: 96.0867 cm^3
• Polarizability: 38.32969 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.78
• LOG S: -4.59
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 2