N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

• ChemBase ID: 464881
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1c(onc1CCN(C(=O)C1N(Cc2c(C1)cccc2)C)C)C1CC1
• Canonical SMILES: CN1Cc2ccccc2CC1C(=O)N(CCc1noc(n1)C1CC1)C
• InChI: InChI=1S/C19H24N4O2/c1-22(10-9-17-20-18(25-21-17)13-7-8-13)19(24)16-11-14-5-3-4-6-15(14)12-23(16)2/h3-6,13,16H,7-12H2,1-2H3
• InChIKey: GTLMHNDTKQXONG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
• IUPAC Traditional name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
• Synonyms: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.84482676
• LogD (pH = 7.4): 2.2714732
• Log P: 2.445861
• Molar Refractivity: 96.6345 cm^3
• Polarizability: 36.48678 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.76
• LOG S: -2.33
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5