7-[(2,3-difluorophenyl)methyl]-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 428797
• Molecular Formular: C19H22F2N4
• Molecular Mass: 344.4015864
• Monoisotopic Mass: 344.18125316
• SMILES: N1(c2nccnc2)CC2(CN(Cc3c(c(F)ccc3)F)CCC2)CC1
• Canonical SMILES: Fc1cccc(c1F)CN1CCCC2(C1)CCN(C2)c1cnccn1
• InChI: InChI=1S/C19H22F2N4/c20-16-4-1-3-15(18(16)21)12-24-9-2-5-19(13-24)6-10-25(14-19)17-11-22-7-8-23-17/h1,3-4,7-8,11H,2,5-6,9-10,12-14H2
• InChIKey: BTWJGGLBENUMPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-difluorophenyl)methyl]-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-difluorophenyl)methyl]-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-difluorobenzyl)-2-(2-pyrazinyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9219124
• LogD (pH = 7.4): 2.506714
• Log P: 2.7980616
• Molar Refractivity: 94.3133 cm^3
• Polarizability: 35.24273 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0
• Log P: 2.57
• LOG S: -2.9