7-{[4-(propan-2-yl)phenyl]methyl}-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 841596
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: C12(C(=O)N(Cc3ccc(cc3)C(C)C)CCC2)CN(c2nccnc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)c1cnccn1)Cc1ccc(cc1)C(C)C
• InChI: InChI=1S/C22H28N4O/c1-17(2)19-6-4-18(5-7-19)15-25-12-3-8-22(21(25)27)9-13-26(16-22)20-14-23-10-11-24-20/h4-7,10-11,14,17H,3,8-9,12-13,15-16H2,1-2H3
• InChIKey: ZLYCKJWYFKTFSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[4-(propan-2-yl)phenyl]methyl}-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(4-isopropylphenyl)methyl]-2-(pyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(4-isopropylbenzyl)-2-(2-pyrazinyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1616824
• LogD (pH = 7.4): 3.1617923
• Log P: 3.1617937
• Molar Refractivity: 107.9026 cm^3
• Polarizability: 41.038338 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.51
• LOG S: -4.79
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3