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

• ChemBase ID: 714071
• Molecular Formular: C26H38N6O3
• Molecular Mass: 482.61832
• Monoisotopic Mass: 482.30053911
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(n(nc1)C)C)CC2)CCc1ccc(cc1)OC)CCN(C)C
• Canonical SMILES: COc1ccc(cc1)CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cnn(c1C)C)CCN(C)C
• InChI: InChI=1S/C26H38N6O3/c1-20-22(18-27-29(20)4)19-30-14-11-26(12-15-30)24(33)31(17-16-28(2)3)25(34)32(26)13-10-21-6-8-23(35-5)9-7-21/h6-9,18H,10-17,19H2,1-5H3
• InChIKey: YVFMLVFINSDLQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-(dimethylamino)ethyl]-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-[2-(dimethylamino)ethyl]-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-[2-(dimethylamino)ethyl]-8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-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): -4.1457825
• LogD (pH = 7.4): -0.62756467
• Log P: 1.4780871
• Molar Refractivity: 148.846 cm^3
• Polarizability: 52.568874 Å^3
• Polar Surface Area: 74.15 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: 1.78
• LOG S: -2.68
• Polar Surface Area: 74.15 Å^2
• Rotatable Bonds: 7