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

• ChemBase ID: 440017
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)CCOC)CCCc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C)CCCc1cccnc1
• InChI: InChI=1S/C19H28N4O3/c1-21-11-7-19(8-12-21)17(24)22(18(25)23(19)13-14-26-2)10-4-6-16-5-3-9-20-15-16/h3,5,9,15H,4,6-8,10-14H2,1-2H3
• InChIKey: GWLCQXSPJRLGDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.6427503
• LogD (pH = 7.4): -0.8344501
• Log P: 0.44514
• Molar Refractivity: 99.1856 cm^3
• Polarizability: 38.40574 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.12
• LOG S: -1.76
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6