5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

• ChemBase ID: 470780
• Molecular Formular: C25H34ClN3O4
• Molecular Mass: 476.00816
• Monoisotopic Mass: 475.22378426
• SMILES: N1(C(=O)NC(C1=O)(Cc1c(Cl)cccc1)C1CCN(C(=O)CC2CCCC2)CC1)CCOC
• Canonical SMILES: COCCN1C(=O)NC(C1=O)(Cc1ccccc1Cl)C1CCN(CC1)C(=O)CC1CCCC1
• InChI: InChI=1S/C25H34ClN3O4/c1-33-15-14-29-23(31)25(27-24(29)32,17-19-8-4-5-9-21(19)26)20-10-12-28(13-11-20)22(30)16-18-6-2-3-7-18/h4-5,8-9,18,20H,2-3,6-7,10-17H2,1H3,(H,27,32)
• InChIKey: JAXMPRMFXVXDDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
• Synonyms: 5-(2-chlorobenzyl)-5-[1-(cyclopentylacetyl)-4-piperidinyl]-3-(2-methoxyethyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.836059
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2034068
• LogD (pH = 7.4): 3.2032523
• Log P: 3.2034097
• Molar Refractivity: 126.5853 cm^3
• Polarizability: 49.360245 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.97
• LOG S: -5.2
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7