6-({2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 754542
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N1CCC2(c3c(CC2)cccc3)CC1
• Canonical SMILES: O=c1cc(C(=O)N2CCC3(CC2)CCc2c3cccc2)n(c(=O)n1C)C
• InChI: InChI=1S/C20H23N3O3/c1-21-16(13-17(24)22(2)19(21)26)18(25)23-11-9-20(10-12-23)8-7-14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3
• InChIKey: KEXIQVSIKSWXLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-({2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-({2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-1,3-dimethylpyrimidine-2,4-dione
• Synonyms: 6-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylcarbonyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4810286
• LogD (pH = 7.4): 1.4810289
• Log P: 1.4810289
• Molar Refractivity: 99.1833 cm^3
• Polarizability: 37.244526 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.72
• LOG S: -4.1
• Polar Surface Area: 64.31 Å^2
• Rotatable Bonds: 1