2-benzyl-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 695416
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: n1c(N2CCC3(CN(C(=O)C3)Cc3ccccc3)CC2)nccc1OC
• Canonical SMILES: COc1ccnc(n1)N1CCC2(CC1)CC(=O)N(C2)Cc1ccccc1
• InChI: InChI=1S/C20H24N4O2/c1-26-17-7-10-21-19(22-17)23-11-8-20(9-12-23)13-18(25)24(15-20)14-16-5-3-2-4-6-16/h2-7,10H,8-9,11-15H2,1H3
• InChIKey: XQILFTKZVKODNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-(4-methoxy-2-pyrimidinyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3877015
• LogD (pH = 7.4): 2.4371285
• Log P: 2.4377995
• Molar Refractivity: 101.0473 cm^3
• Polarizability: 38.117878 Å^3
• Polar Surface Area: 58.56 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: 3.51
• LOG S: -4.77
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4