N-[3-(1H-1,2,3-triazol-1-yl)propyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 683718
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCCn1nncc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NCCCn1nncc1
• InChI: InChI=1S/C18H23N5O/c1-12-5-6-13(2)18-17(12)15(14(3)21-18)11-16(24)19-7-4-9-23-10-8-20-22-23/h5-6,8,10,21H,4,7,9,11H2,1-3H3,(H,19,24)
• InChIKey: GLPHCWGXEDIAHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-1,2,3-triazol-1-yl)propyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[3-(1,2,3-triazol-1-yl)propyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[3-(1H-1,2,3-triazol-1-yl)propyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.713441
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.261551
• LogD (pH = 7.4): 2.2615583
• Log P: 2.2615585
• Molar Refractivity: 106.6179 cm^3
• Polarizability: 36.75957 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.76
• LOG S: -3.08
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 6