2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide

• ChemBase ID: 463580
• Molecular Formular: C17H23N5O3
• Molecular Mass: 345.39622
• Monoisotopic Mass: 345.18008962
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1nc2c(c(n1)C)CCCC2)C)C
• Canonical SMILES: O=C(CC1C(=O)N(C(=O)N1C)C)NCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C17H23N5O3/c1-10-11-6-4-5-7-12(11)20-14(19-10)9-18-15(23)8-13-16(24)22(3)17(25)21(13)2/h13H,4-9H2,1-3H3,(H,18,23)
• InChIKey: NKOCMWZZGUHWHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[(4-methyl-5,6,7,8-tetrahydro-2-quinazolinyl)methyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: -0.57
• LOG S: -2.54
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 1

JChem

• Molar Refractivity: 90.5252 cm^3
• Polarizability: 34.496555 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.046173
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.28156146
• LogD (pH = 7.4): 0.2816957
• Log P: 0.28169832