1-methyl-8-({4-[methyl(phenyl)amino]phenyl}methyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 518536
• Molecular Formular: C30H34N4O2
• Molecular Mass: 482.61656
• Monoisotopic Mass: 482.26817635
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(N(c2ccccc2)C)cc1)C)CCc1ccccc1
• Canonical SMILES: CN(c1ccccc1)c1ccc(cc1)CN1CCC2(CC1)C(=O)N(C(=O)N2C)CCc1ccccc1
• InChI: InChI=1S/C30H34N4O2/c1-31(26-11-7-4-8-12-26)27-15-13-25(14-16-27)23-33-21-18-30(19-22-33)28(35)34(29(36)32(30)2)20-17-24-9-5-3-6-10-24/h3-16H,17-23H2,1-2H3
• InChIKey: CGVWBYUSJUGVOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-8-({4-[methyl(phenyl)amino]phenyl}methyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-methyl-8-({4-[methyl(phenyl)amino]phenyl}methyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-methyl-8-{4-[methyl(phenyl)amino]benzyl}-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5691797
• LogD (pH = 7.4): 3.2463014
• Log P: 4.653294
• Molar Refractivity: 143.6935 cm^3
• Polarizability: 55.251865 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.86
• LOG S: -6.68
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 7