(2R,6S)-2,6-dimethyl-4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine

• ChemBase ID: 643418
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: C1(N2C[C@H](O[C@H](C2)C)C)(C(=O)N2CCOCC2)Cc2c(C1)cccc2
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1(Cc2c(C1)cccc2)C(=O)N1CCOCC1
• InChI: InChI=1S/C20H28N2O3/c1-15-13-22(14-16(2)25-15)20(19(23)21-7-9-24-10-8-21)11-17-5-3-4-6-18(17)12-20/h3-6,15-16H,7-14H2,1-2H3/t15-,16+
• InChIKey: FFLIWSOZETVPFO-IYBDPMFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-2,6-dimethyl-4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine
• IUPAC Traditional name: (2R,6S)-2,6-dimethyl-4-[2-(morpholine-4-carbonyl)-1,3-dihydroinden-2-yl]morpholine
• Synonyms: (2R*,6S*)-2,6-dimethyl-4-[2-(4-morpholinylcarbonyl)-2,3-dihydro-1H-inden-2-yl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.66086245
• LogD (pH = 7.4): 1.9334165
• Log P: 2.0456486
• Molar Refractivity: 97.0621 cm^3
• Polarizability: 38.039623 Å^3
• Polar Surface Area: 42.01 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: 2.64
• LOG S: -3.97
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 2