5-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione

• ChemBase ID: 422115
• Molecular Formular: C26H37N5O4
• Molecular Mass: 483.60308
• Monoisotopic Mass: 483.28455469
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(OC)ccc1)C1CCN(Cc2c(nn(c2)CC)C)CC1)CCOC
• Canonical SMILES: COCCN1C(=O)NC(C1=O)(Cc1cccc(c1)OC)C1CCN(CC1)Cc1cn(nc1C)CC
• InChI: InChI=1S/C26H37N5O4/c1-5-30-18-21(19(2)28-30)17-29-11-9-22(10-12-29)26(16-20-7-6-8-23(15-20)35-4)24(32)31(13-14-34-3)25(33)27-26/h6-8,15,18,22H,5,9-14,16-17H2,1-4H3,(H,27,33)
• InChIKey: KESJMVWZEWGMJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-{1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl}-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
• Synonyms: 5-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-5-(3-methoxybenzyl)-3-(2-methoxyethyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.237747
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.63835394
• LogD (pH = 7.4): 1.1358166
• Log P: 1.9977756
• Molar Refractivity: 145.6523 cm^3
• Polarizability: 51.744843 Å^3
• Polar Surface Area: 88.93 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.13
• LOG S: -3.97
• Polar Surface Area: 88.93 Å^2
• Rotatable Bonds: 7