2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

• ChemBase ID: 444713
• Molecular Formular: C14H18N4O3S
• Molecular Mass: 322.38272
• Monoisotopic Mass: 322.10996146
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCc1nc2c(s1)CCCC2
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCc1nc2c(s1)CCCC2
• InChI: InChI=1S/C14H18N4O3S/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h9H,1-7H2,(H,15,19)(H2,17,18,20,21)
• InChIKey: MSXAWJQDGKIVQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.61854
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.044686623
• LogD (pH = 7.4): 0.042922046
• Log P: 0.04551999
• Molar Refractivity: 79.1382 cm^3
• Polarizability: 30.522629 Å^3
• Polar Surface Area: 100.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.29
• LOG S: -3.11
• Polar Surface Area: 100.19 Å^2
• Rotatable Bonds: 5