2-(3,4-dichlorophenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

• ChemBase ID: 706930
• Molecular Formular: C18H19Cl2N3O
• Molecular Mass: 364.26896
• Monoisotopic Mass: 363.0905176
• SMILES: c1(c2c(cnc1C)CNCC2)CNC(=O)Cc1cc(c(cc1)Cl)Cl
• Canonical SMILES: O=C(Cc1ccc(c(c1)Cl)Cl)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C18H19Cl2N3O/c1-11-15(14-4-5-21-8-13(14)9-22-11)10-23-18(24)7-12-2-3-16(19)17(20)6-12/h2-3,6,9,21H,4-5,7-8,10H2,1H3,(H,23,24)
• InChIKey: BFXOGCMOCYNBTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
• Synonyms: 2-(3,4-dichlorophenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.940014
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.55662507
• LogD (pH = 7.4): 0.97561246
• Log P: 2.4722252
• Molar Refractivity: 97.2989 cm^3
• Polarizability: 37.530006 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.58
• LOG S: -1.91
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 4