1-ethyl-8-methyl-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 755029
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)CC)CCCc1cnccc1
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)C)CCCc1cccnc1
• InChI: InChI=1S/C18H26N4O2/c1-3-22-17(24)21(11-5-7-15-6-4-10-19-14-15)16(23)18(22)8-12-20(2)13-9-18/h4,6,10,14H,3,5,7-9,11-13H2,1-2H3
• InChIKey: SJFCZKDZKKNRRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-8-methyl-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-ethyl-8-methyl-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-ethyl-8-methyl-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2389677
• LogD (pH = 7.4): -0.43066782
• Log P: 0.84892344
• Molar Refractivity: 92.8907 cm^3
• Polarizability: 35.8594 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 0.38
• LOG S: -2.1