7-[(4-fluorophenyl)methyl]-2-{[5-(methoxymethyl)furan-2-yl]methyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 422774
• Molecular Formular: C22H29FN2O2
• Molecular Mass: 372.4762632
• Monoisotopic Mass: 372.2213064
• SMILES: N1(CC2(CN(Cc3ccc(F)cc3)CCC2)CC1)Cc1oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)CN1CCC2(C1)CCCN(C2)Cc1ccc(cc1)F
• InChI: InChI=1S/C22H29FN2O2/c1-26-15-21-8-7-20(27-21)14-25-12-10-22(17-25)9-2-11-24(16-22)13-18-3-5-19(23)6-4-18/h3-8H,2,9-17H2,1H3
• InChIKey: PNWUMMVFFXSNIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-{[5-(methoxymethyl)furan-2-yl]methyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-{[5-(methoxymethyl)furan-2-yl]methyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(4-fluorobenzyl)-2-{[5-(methoxymethyl)-2-furyl]methyl}-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4217587
• LogD (pH = 7.4): 1.352744
• Log P: 3.1856244
• Molar Refractivity: 106.0468 cm^3
• Polarizability: 40.812485 Å^3
• Polar Surface Area: 28.85 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: 3.91
• LOG S: -2.13
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 5