N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 387258
• Molecular Formular: C17H18F2N4O3
• Molecular Mass: 364.3466264
• Monoisotopic Mass: 364.1346969
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCc1c2c([nH]c1C)c(cc(c2)F)F
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCc1c(C)[nH]c2c1cc(F)cc2F
• InChI: InChI=1S/C17H18F2N4O3/c1-8-10(11-6-9(18)7-12(19)15(11)21-8)4-5-20-14(24)3-2-13-16(25)23-17(26)22-13/h6-7,13,21H,2-5H2,1H3,(H,20,24)(H2,22,23,25,26)
• InChIKey: LUSIWLANVGXWSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637551
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): 0.7789567
• LogD (pH = 7.4): 0.7765107
• Log P: 0.778988
• Molar Refractivity: 89.0859 cm^3
• Polarizability: 34.38578 Å^3
• Polar Surface Area: 103.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 4
• Log P: 0.38
• LOG S: -2.18
• Polar Surface Area: 103.09 Å^2
• Rotatable Bonds: 6