propan-2-yl 8-[(5-methylpyrazin-2-yl)methyl]-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate

• ChemBase ID: 682391
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)OC(C)C)CCC2)Cc1ncc(nc1)C
• Canonical SMILES: CC(OC(=O)N1CCCC2(C1)CCC(=O)N(C2)Cc1cnc(cn1)C)C
• InChI: InChI=1S/C19H28N4O3/c1-14(2)26-18(25)22-8-4-6-19(12-22)7-5-17(24)23(13-19)11-16-10-20-15(3)9-21-16/h9-10,14H,4-8,11-13H2,1-3H3
• InChIKey: QCBIUJVHBVASKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 8-[(5-methylpyrazin-2-yl)methyl]-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
• IUPAC Traditional name: isopropyl 8-[(5-methylpyrazin-2-yl)methyl]-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
• Synonyms: isopropyl 8-[(5-methyl-2-pyrazinyl)methyl]-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.35214385
• LogD (pH = 7.4): 0.35215884
• Log P: 0.35215905
• Molar Refractivity: 96.4265 cm^3
• Polarizability: 37.765244 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.64
• LOG S: -2.38
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4