5-methyl-1-(2-oxo-2-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}ethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 852241
• Molecular Formular: C18H26N4O4
• Molecular Mass: 362.42344
• Monoisotopic Mass: 362.19540533
• SMILES: [nH]1c(=O)n(cc(c1=O)C)CC(=O)N1CC2(C(=O)N(CCC2)CCC)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)C(=O)Cn1cc(C)c(=O)[nH]c1=O
• InChI: InChI=1S/C18H26N4O4/c1-3-7-20-8-4-5-18(16(20)25)6-9-21(12-18)14(23)11-22-10-13(2)15(24)19-17(22)26/h10H,3-9,11-12H2,1-2H3,(H,19,24,26)
• InChIKey: HTEJODOAJRIPKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-(2-oxo-2-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}ethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 5-methyl-1-(2-oxo-2-{6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl}ethyl)-3H-pyrimidine-2,4-dione
• Synonyms: 5-methyl-1-[2-oxo-2-(6-oxo-7-propyl-2,7-diazaspiro[4.5]dec-2-yl)ethyl]pyrimidine-2,4(1H,3H)-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.001405
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.28644642
• LogD (pH = 7.4): -0.28750587
• Log P: -0.28643224
• Molar Refractivity: 94.8088 cm^3
• Polarizability: 36.378063 Å^3
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.34
• LOG S: -3.44
• Polar Surface Area: 95.48 Å^2
• Rotatable Bonds: 4