2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]acetamide

• ChemBase ID: 550490
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(=O)n(c(cc(n1)C)C)CCNC(=O)CC1c2c(CC1)cccc2
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCCn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C19H23N3O2/c1-13-11-14(2)22(19(24)21-13)10-9-20-18(23)12-16-8-7-15-5-3-4-6-17(15)16/h3-6,11,16H,7-10,12H2,1-2H3,(H,20,23)
• InChIKey: DDXSDGAUOWVXKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.798463
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6729028
• LogD (pH = 7.4): 1.6729033
• Log P: 1.6729033
• Molar Refractivity: 94.7752 cm^3
• Polarizability: 35.63414 Å^3
• Polar Surface Area: 61.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.32
• LOG S: -2.7
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 5