N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)pyridazine-4-carboxamide

• ChemBase ID: 491313
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: C(=O)(N(Cc1ccc(cc1)CC)CCOC)c1cnncc1
• Canonical SMILES: COCCN(C(=O)c1ccnnc1)Cc1ccc(cc1)CC
• InChI: InChI=1S/C17H21N3O2/c1-3-14-4-6-15(7-5-14)13-20(10-11-22-2)17(21)16-8-9-18-19-12-16/h4-9,12H,3,10-11,13H2,1-2H3
• InChIKey: TZYSTGXDTXDNLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)pyridazine-4-carboxamide
• IUPAC Traditional name: N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)pyridazine-4-carboxamide
• Synonyms: N-(4-ethylbenzyl)-N-(2-methoxyethyl)pyridazine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7092772
• LogD (pH = 7.4): 1.7092835
• Log P: 1.7092835
• Molar Refractivity: 87.9345 cm^3
• Polarizability: 32.633453 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.75
• LOG S: -2.88
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7