N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 607912
• Molecular Formular: C15H19ClN6O3
• Molecular Mass: 366.80276
• Monoisotopic Mass: 366.12071618
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NC1CCN(c2nnc(cc2)Cl)CC1
• Canonical SMILES: O=C(NC1CCN(CC1)c1ccc(nn1)Cl)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C15H19ClN6O3/c16-11-2-3-12(21-20-11)22-7-5-9(6-8-22)17-13(23)4-1-10-14(24)19-15(25)18-10/h2-3,9-10H,1,4-8H2,(H,17,23)(H2,18,19,24,25)
• InChIKey: WUFHHUWLPBNLIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637438
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.6789323
• LogD (pH = 7.4): -0.6811905
• Log P: -0.67871016
• Molar Refractivity: 92.8849 cm^3
• Polarizability: 34.243 Å^3
• Polar Surface Area: 116.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.41
• LOG S: -1.98
• Polar Surface Area: 116.32 Å^2
• Rotatable Bonds: 5