8-methyl-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 516571
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)CC(C)C)Cc1ncccc1
• Canonical SMILES: CC(CN1C(=O)N(C(=O)C21CCN(CC2)C)Cc1ccccn1)C
• InChI: InChI=1S/C18H26N4O2/c1-14(2)12-22-17(24)21(13-15-6-4-5-9-19-15)16(23)18(22)7-10-20(3)11-8-18/h4-6,9,14H,7-8,10-13H2,1-3H3
• InChIKey: JXYHNEIVPOAMEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-methyl-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-isobutyl-8-methyl-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9278592
• LogD (pH = 7.4): -0.19381873
• Log P: 1.0846606
• Molar Refractivity: 92.0081 cm^3
• Polarizability: 35.85812 Å^3
• Polar Surface Area: 56.75 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: 0.6
• LOG S: -1.78
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 3