3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 568303
• Molecular Formular: C25H32N4O4
• Molecular Mass: 452.54598
• Monoisotopic Mass: 452.24235552
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccncc1)CCc1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1ccncc1)CCc1ccc(cc1)OC
• InChI: InChI=1S/C25H32N4O4/c1-32-18-17-28-23(30)25(10-15-27(16-11-25)19-21-7-12-26-13-8-21)29(24(28)31)14-9-20-3-5-22(33-2)6-4-20/h3-8,12-13H,9-11,14-19H2,1-2H3
• InChIKey: KEEVPTDKYRIGRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.1408491
• LogD (pH = 7.4): 0.6341265
• Log P: 1.5673732
• Molar Refractivity: 125.6604 cm^3
• Polarizability: 48.664528 Å^3
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.62
• LOG S: -2.51
• Polar Surface Area: 75.21 Å^2
• Rotatable Bonds: 7