7-[(3,4-difluorophenyl)methyl]-2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 448887
• Molecular Formular: C21H26F2N4
• Molecular Mass: 372.4547464
• Monoisotopic Mass: 372.21255329
• SMILES: N1(CC2(CN(Cc3cc(c(cc3)F)F)CCC2)CC1)Cc1cnc(nc1)C
• Canonical SMILES: Cc1ncc(cn1)CN1CCC2(C1)CCCN(C2)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C21H26F2N4/c1-16-24-10-18(11-25-16)13-27-8-6-21(15-27)5-2-7-26(14-21)12-17-3-4-19(22)20(23)9-17/h3-4,9-11H,2,5-8,12-15H2,1H3
• InChIKey: NFEJEWMYFOZVHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-difluorophenyl)methyl]-2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3,4-difluorophenyl)methyl]-2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(3,4-difluorobenzyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8455974
• LogD (pH = 7.4): 1.749268
• Log P: 3.081107
• Molar Refractivity: 103.7164 cm^3
• Polarizability: 39.21629 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.07
• LOG S: -2.47
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4