7-[(2,3-difluorophenyl)methyl]-2-(3-methylbut-2-en-1-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 722084
• Molecular Formular: C20H28F2N2
• Molecular Mass: 334.4465264
• Monoisotopic Mass: 334.22205535
• SMILES: c1(c(c(F)ccc1)F)CN1CC2(CN(CC=C(C)C)CC2)CCC1
• Canonical SMILES: CC(=CCN1CCC2(C1)CCCN(C2)Cc1cccc(c1F)F)C
• InChI: InChI=1S/C20H28F2N2/c1-16(2)7-11-23-12-9-20(14-23)8-4-10-24(15-20)13-17-5-3-6-18(21)19(17)22/h3,5-7H,4,8-15H2,1-2H3
• InChIKey: CDOGWAOIKGSAAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-difluorophenyl)methyl]-2-(3-methylbut-2-en-1-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-difluorophenyl)methyl]-2-(3-methylbut-2-en-1-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-difluorobenzyl)-2-(3-methyl-2-buten-1-yl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.11123179
• LogD (pH = 7.4): 1.8990095
• Log P: 4.109075
• Molar Refractivity: 96.9333 cm^3
• Polarizability: 36.757004 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.96
• LOG S: -3.18
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4