(2-methoxyethyl)[(2-methyl-2H-indazol-3-yl)methyl][(3-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 843169
• Molecular Formular: C18H23N3OS
• Molecular Mass: 329.45972
• Monoisotopic Mass: 329.15618337
• SMILES: c1(c2c(nn1C)cccc2)CN(Cc1c(ccs1)C)CCOC
• Canonical SMILES: COCCN(Cc1n(C)nc2c1cccc2)Cc1sccc1C
• InChI: InChI=1S/C18H23N3OS/c1-14-8-11-23-18(14)13-21(9-10-22-3)12-17-15-6-4-5-7-16(15)19-20(17)2/h4-8,11H,9-10,12-13H2,1-3H3
• InChIKey: ZQSVKBNECUJJPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(2-methyl-2H-indazol-3-yl)methyl][(3-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(2-methylindazol-3-yl)methyl][(3-methylthiophen-2-yl)methyl]amine
• Synonyms: (2-methoxyethyl)[(2-methyl-2H-indazol-3-yl)methyl][(3-methyl-2-thienyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1046121
• LogD (pH = 7.4): 2.8787534
• Log P: 3.7416313
• Molar Refractivity: 107.047 cm^3
• Polarizability: 37.844345 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.39
• LOG S: -3.49
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7