8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 431627
• Molecular Formular: C25H35N5O4
• Molecular Mass: 469.5765
• Monoisotopic Mass: 469.26890463
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(n(nc1)C)C)CC2)CCc1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cnn(c1C)C)CCc1ccc(cc1)OC
• InChI: InChI=1S/C25H35N5O4/c1-19-21(17-26-27(19)2)18-28-13-10-25(11-14-28)23(31)29(15-16-33-3)24(32)30(25)12-9-20-5-7-22(34-4)8-6-20/h5-8,17H,9-16,18H2,1-4H3
• InChIKey: URVQTMLVAXARPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.3175979
• LogD (pH = 7.4): 0.45340255
• Log P: 1.412467
• Molar Refractivity: 141.8704 cm^3
• Polarizability: 49.909264 Å^3
• Polar Surface Area: 80.14 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.45
• LOG S: -3.42
• Polar Surface Area: 80.14 Å^2
• Rotatable Bonds: 7