8-[(6-chloropyridin-2-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 691691
• Molecular Formular: C19H28ClN3O2
• Molecular Mass: 365.89752
• Monoisotopic Mass: 365.18700483
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1nc(Cl)ccc1)CCC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CCCN(C2)Cc2cccc(n2)Cl)CCC1=O
• InChI: InChI=1S/C19H28ClN3O2/c1-25-12-4-11-23-15-19(9-7-18(23)24)8-3-10-22(14-19)13-16-5-2-6-17(20)21-16/h2,5-6H,3-4,7-15H2,1H3
• InChIKey: RGPPDVZCRCEJRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(6-chloropyridin-2-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[(6-chloropyridin-2-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(6-chloro-2-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.27941546
• LogD (pH = 7.4): 1.5457916
• Log P: 1.656099
• Molar Refractivity: 100.7047 cm^3
• Polarizability: 39.117165 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -3.14
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6