3-methyl-7-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 521160
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: C1(=O)N(CC2(O1)CN(Cc1cc(OCc3ncccc3)ccc1)CC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCN(C2)Cc1cccc(c1)OCc1ccccn1
• InChI: InChI=1S/C20H23N3O3/c1-22-14-20(26-19(22)24)8-10-23(15-20)12-16-5-4-7-18(11-16)25-13-17-6-2-3-9-21-17/h2-7,9,11H,8,10,12-15H2,1H3
• InChIKey: YCHOTMKVMPKHGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-7-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 3-methyl-7-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 3-methyl-7-[3-(2-pyridinylmethoxy)benzyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7172351
• LogD (pH = 7.4): 1.0645077
• Log P: 1.9105195
• Molar Refractivity: 97.3985 cm^3
• Polarizability: 38.23755 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.57
• LOG S: -0.81
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 5