5-(morpholin-4-yl)-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydropyridazin-3-one

• ChemBase ID: 793145
• Molecular Formular: C15H22N4O3
• Molecular Mass: 306.36018
• Monoisotopic Mass: 306.16919058
• SMILES: c1c(=O)n(ncc1N1CCOCC1)CCC(=O)N1CCCC1
• Canonical SMILES: O=C(N1CCCC1)CCn1ncc(cc1=O)N1CCOCC1
• InChI: InChI=1S/C15H22N4O3/c20-14(18-4-1-2-5-18)3-6-19-15(21)11-13(12-16-19)17-7-9-22-10-8-17/h11-12H,1-10H2
• InChIKey: BKZBMUSIKOLJGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 5-(morpholin-4-yl)-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]pyridazin-3-one
• Synonyms: 5-morpholin-4-yl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridazin-3(2H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.85497195
• LogD (pH = 7.4): -0.854971
• Log P: -0.854971
• Molar Refractivity: 83.5669 cm^3
• Polarizability: 30.966816 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.04
• LOG S: -2.78
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 4