(2,1,3-benzoxadiazol-4-ylmethyl)(methyl)[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]amine

• ChemBase ID: 544945
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: c12c(CN(Cc3cc4c(CN(C4)C)cc3)C)cccc1non2
• Canonical SMILES: CN(Cc1cccc2c1non2)Cc1ccc2c(c1)CN(C2)C
• InChI: InChI=1S/C18H20N4O/c1-21(11-15-4-3-5-17-18(15)20-23-19-17)9-13-6-7-14-10-22(2)12-16(14)8-13/h3-8H,9-12H2,1-2H3
• InChIKey: JNFJKTIONJTURF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,1,3-benzoxadiazol-4-ylmethyl)(methyl)[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]amine
• IUPAC Traditional name: (2,1,3-benzoxadiazol-4-ylmethyl)(methyl)[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]amine
• Synonyms: (2,1,3-benzoxadiazol-4-ylmethyl)methyl[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0198364
• LogD (pH = 7.4): 1.218547
• Log P: 2.6817625
• Molar Refractivity: 92.3874 cm^3
• Polarizability: 35.952526 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.58
• LOG S: -2.64
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4