3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 332789
• Molecular Formular: C26H37N3O5
• Molecular Mass: 471.58908
• Monoisotopic Mass: 471.2733213
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)C2C(C2(C)C)(C)C)CC1)C)Cc1c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(cccc1OC)CN1C(=O)NC(C1=O)(C)C1CCN(CC1)C(=O)C1C(C1(C)C)(C)C
• InChI: InChI=1S/C26H37N3O5/c1-24(2)20(25(24,3)4)21(30)28-13-11-17(12-14-28)26(5)22(31)29(23(32)27-26)15-16-9-8-10-18(33-6)19(16)34-7/h8-10,17,20H,11-15H2,1-7H3,(H,27,32)
• InChIKey: XGPIXZYROOQMPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 3-(2,3-dimethoxybenzyl)-5-methyl-5-{1-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.510956
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4955356
• LogD (pH = 7.4): 2.4955049
• Log P: 2.4955382
• Molar Refractivity: 127.9273 cm^3
• Polarizability: 49.979683 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.0
• LOG S: -5.27
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 4