2-(5-chloropyridin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 545370
• Molecular Formular: C16H22ClN3O2
• Molecular Mass: 323.81778
• Monoisotopic Mass: 323.14005464
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(c2ncc(cc2)Cl)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1ccc(cn1)Cl
• InChI: InChI=1S/C16H22ClN3O2/c1-22-10-9-19-7-2-5-16(15(19)21)6-8-20(12-16)14-4-3-13(17)11-18-14/h3-4,11H,2,5-10,12H2,1H3
• InChIKey: NFTYYJTYCVWURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloropyridin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-chloropyridin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-chloropyridin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Log P: 1.9670529
• Molar Refractivity: 87.1044 cm^3
• Polarizability: 33.176304 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9337524
• LogD (pH = 7.4): 1.9666164

供应商提供(Chembridge)

• Log P: 1.84
• LOG S: -3.13
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0