7-(2,2-diphenylethyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 327553
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: C1(=O)N(CC2(O1)CN(CC(c1ccccc1)c1ccccc1)CC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCN(C2)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H24N2O2/c1-22-15-21(25-20(22)24)12-13-23(16-21)14-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
• InChIKey: MIWSFLGYHASHDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2,2-diphenylethyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 7-(2,2-diphenylethyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 7-(2,2-diphenylethyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.111977145
• LogD (pH = 7.4): 1.1903979
• Log P: 3.2673562
• Molar Refractivity: 98.3234 cm^3
• Polarizability: 38.39442 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.33
• LOG S: -3.49
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4