3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 372986
• Molecular Formular: C24H27N3O4
• Molecular Mass: 421.48888
• Monoisotopic Mass: 421.20015636
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2c(occ2)C)CC1)C)C1Cc2c(C1)cccc2
• Canonical SMILES: O=C1NC(C(=O)N1C1Cc2c(C1)cccc2)(C)C1CCN(CC1)C(=O)c1ccoc1C
• InChI: InChI=1S/C24H27N3O4/c1-15-20(9-12-31-15)21(28)26-10-7-18(8-11-26)24(2)22(29)27(23(30)25-24)19-13-16-5-3-4-6-17(16)14-19/h3-6,9,12,18-19H,7-8,10-11,13-14H2,1-2H3,(H,25,30)
• InChIKey: LYTDEBFDQZRVPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(2-methyl-3-furoyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.215412
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4392493
• LogD (pH = 7.4): 2.4391844
• Log P: 2.4392502
• Molar Refractivity: 115.6227 cm^3
• Polarizability: 43.750484 Å^3
• Polar Surface Area: 82.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.86
• LOG S: -5.99
• Polar Surface Area: 82.86 Å^2
• Rotatable Bonds: 3