5-[(4-fluorophenyl)methyl]-5-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione

• ChemBase ID: 414668
• Molecular Formular: C24H28FN5O5
• Molecular Mass: 485.5080232
• Monoisotopic Mass: 485.20744724
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2nonc2C)CC1)Cc1ccc(F)cc1)CC1OCCC1
• Canonical SMILES: Fc1ccc(cc1)CC1(NC(=O)N(C1=O)CC1CCCO1)C1CCN(CC1)C(=O)c1nonc1C
• InChI: InChI=1S/C24H28FN5O5/c1-15-20(28-35-27-15)21(31)29-10-8-17(9-11-29)24(13-16-4-6-18(25)7-5-16)22(32)30(23(33)26-24)14-19-3-2-12-34-19/h4-7,17,19H,2-3,8-14H2,1H3,(H,26,33)
• InChIKey: AJGFHNWRKPLDCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-fluorophenyl)methyl]-5-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(4-fluorophenyl)methyl]-5-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
• Synonyms: 5-(4-fluorobenzyl)-5-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}-3-(tetrahydro-2-furanylmethyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.40285
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3103311
• LogD (pH = 7.4): 1.3099102
• Log P: 1.3103365
• Molar Refractivity: 123.2924 cm^3
• Polarizability: 46.221455 Å^3
• Polar Surface Area: 117.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.09
• LOG S: -4.42
• Polar Surface Area: 117.87 Å^2
• Rotatable Bonds: 6