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

• ChemBase ID: 333130
• Molecular Formular: C30H34N4O2
• Molecular Mass: 482.61656
• Monoisotopic Mass: 482.26817635
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(c(cc1)C)C)CCc1ccccc1)Cc1cnccc1
• Canonical SMILES: Cc1ccc(cc1C)CN1CCC2(CC1)N(CCc1ccccc1)C(=O)N(C2=O)Cc1cccnc1
• InChI: InChI=1S/C30H34N4O2/c1-23-10-11-26(19-24(23)2)21-32-17-13-30(14-18-32)28(35)33(22-27-9-6-15-31-20-27)29(36)34(30)16-12-25-7-4-3-5-8-25/h3-11,15,19-20H,12-14,16-18,21-22H2,1-2H3
• InChIKey: WQKIJGXOHPZJKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.309477
• LogD (pH = 7.4): 3.0212746
• Log P: 4.523336
• Molar Refractivity: 142.8487 cm^3
• Polarizability: 54.89507 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.14
• LOG S: -5.59
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7