2-benzyl-6-methyl-5-[5-(pyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 700929
• Molecular Formular: C22H20N6O
• Molecular Mass: 384.4338
• Monoisotopic Mass: 384.16985929
• SMILES: c1(nc(on1)c1cnncc1)c1c2c(CN(CC2)Cc2ccccc2)cnc1C
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1ccnnc1)CCN(C2)Cc1ccccc1
• InChI: InChI=1S/C22H20N6O/c1-15-20(21-26-22(29-27-21)17-7-9-24-25-12-17)19-8-10-28(14-18(19)11-23-15)13-16-5-3-2-4-6-16/h2-7,9,11-12H,8,10,13-14H2,1H3
• InChIKey: DDWPLCSULNHBTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-6-methyl-5-[5-(pyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 2-benzyl-6-methyl-5-[5-(pyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 2-benzyl-6-methyl-5-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.25089368
• LogD (pH = 7.4): 1.9837617
• Log P: 2.487602
• Molar Refractivity: 133.7927 cm^3
• Polarizability: 42.771248 Å^3
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.64
• LOG S: -2.39
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 4