9-(3-methylpyrazin-2-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 865527
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: N1(C(=O)CCC2(C1)CCN(c1nccnc1C)CC2)CC1OCCC1
• Canonical SMILES: O=C1CCC2(CN1CC1CCCO1)CCN(CC2)c1nccnc1C
• InChI: InChI=1S/C19H28N4O2/c1-15-18(21-9-8-20-15)22-10-6-19(7-11-22)5-4-17(24)23(14-19)13-16-3-2-12-25-16/h8-9,16H,2-7,10-14H2,1H3
• InChIKey: SXFOCPSDWLKXFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3-methylpyrazin-2-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(3-methylpyrazin-2-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(3-methyl-2-pyrazinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.67471874
• LogD (pH = 7.4): 0.67490256
• Log P: 0.6749049
• Molar Refractivity: 96.4946 cm^3
• Polarizability: 36.950558 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.03
• LOG S: -2.59
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3