2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 535871
• Molecular Formular: C19H22N4O3S
• Molecular Mass: 386.46798
• Monoisotopic Mass: 386.14126158
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1sc(cc1)C)Cc1ccncc1)C)C
• Canonical SMILES: Cc1ccc(s1)CN(C(=O)CC1C(=O)N(C(=O)N1C)C)Cc1ccncc1
• InChI: InChI=1S/C19H22N4O3S/c1-13-4-5-15(27-13)12-23(11-14-6-8-20-9-7-14)17(24)10-16-18(25)22(3)19(26)21(16)2/h4-9,16H,10-12H2,1-3H3
• InChIKey: VNFQRSRRRRMPBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(5-methyl-2-thienyl)methyl]-N-(pyridin-4-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.167948
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2449093
• LogD (pH = 7.4): 1.3528899
• Log P: 1.3545095
• Molar Refractivity: 101.9989 cm^3
• Polarizability: 38.962933 Å^3
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.13
• LOG S: -1.92
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 6