N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 670782
• Molecular Formular: C19H23N7O2
• Molecular Mass: 381.43162
• Monoisotopic Mass: 381.19132301
• SMILES: n1nc2c(n1CCCNC(=O)Cn1c(=O)cc(cn1)N1CCCC1)cccc2
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N1CCCC1)NCCCn1nnc2c1cccc2
• InChI: InChI=1S/C19H23N7O2/c27-18(14-26-19(28)12-15(13-21-26)24-9-3-4-10-24)20-8-5-11-25-17-7-2-1-6-16(17)22-23-25/h1-2,6-7,12-13H,3-5,8-11,14H2,(H,20,27)
• InChIKey: BVJUQQZHVSMNJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2-[6-oxo-4-(pyrrolidin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-[3-(1,2,3-benzotriazol-1-yl)propyl]-2-[6-oxo-4-(pyrrolidin-1-yl)pyridazin-1-yl]acetamide
• Synonyms: N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1(6H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.193695
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.21622935
• LogD (pH = 7.4): 0.21623361
• Log P: 0.21623367
• Molar Refractivity: 117.0668 cm^3
• Polarizability: 40.302296 Å^3
• Polar Surface Area: 95.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.07
• LOG S: -3.23
• Polar Surface Area: 97.94 Å^2
• Rotatable Bonds: 7