N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

• ChemBase ID: 567954
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCCn2c(C3CC3)ccn2)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C19H21N5O3/c25-17-12-23(19(27)22-17)15-6-4-14(5-7-15)18(26)20-9-1-11-24-16(8-10-21-24)13-2-3-13/h4-8,10,13H,1-3,9,11-12H2,(H,20,26)(H,22,25,27)
• InChIKey: NLFVFEOECFRMQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• Synonyms: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4-(2,4-dioxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.41819683
• LogD (pH = 7.4): 0.4094022
• Log P: 0.41860172
• Molar Refractivity: 109.8964 cm^3
• Polarizability: 37.059193 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.77
• LOG S: -2.54
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7