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

• ChemBase ID: 421748
• Molecular Formular: C30H34N4O3
• Molecular Mass: 498.61596
• Monoisotopic Mass: 498.26309097
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(cc1)OCC)CCc1ccccc1)Cc1cnccc1
• Canonical SMILES: CCOc1ccc(cc1)CN1CCC2(CC1)N(CCc1ccccc1)C(=O)N(C2=O)Cc1cccnc1
• InChI: InChI=1S/C30H34N4O3/c1-2-37-27-12-10-25(11-13-27)22-32-19-15-30(16-20-32)28(35)33(23-26-9-6-17-31-21-26)29(36)34(30)18-14-24-7-4-3-5-8-24/h3-13,17,21H,2,14-16,18-20,22-23H2,1H3
• InChIKey: GAYCFGZVDOWGJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7730849
• LogD (pH = 7.4): 2.5998385
• Log P: 3.6956298
• Molar Refractivity: 143.9781 cm^3
• Polarizability: 55.71625 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.64
• LOG S: -5.0
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 7