N,N-diethyl-3-(1-methyl-1H-indazol-5-yl)benzamide

• ChemBase ID: 339130
• Molecular Formular: C19H21N3O
• Molecular Mass: 307.38954
• Monoisotopic Mass: 307.16846231
• SMILES: n1n(c2c(c1)cc(c1cc(C(=O)N(CC)CC)ccc1)cc2)C
• Canonical SMILES: CCN(C(=O)c1cccc(c1)c1ccc2c(c1)cnn2C)CC
• InChI: InChI=1S/C19H21N3O/c1-4-22(5-2)19(23)16-8-6-7-14(11-16)15-9-10-18-17(12-15)13-20-21(18)3/h6-13H,4-5H2,1-3H3
• InChIKey: JEQKXXMRTFAGJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-3-(1-methyl-1H-indazol-5-yl)benzamide
• IUPAC Traditional name: N,N-diethyl-3-(1-methylindazol-5-yl)benzamide
• Synonyms: N,N-diethyl-3-(1-methyl-1H-indazol-5-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0788033
• LogD (pH = 7.4): 3.0788174
• Log P: 3.0788174
• Molar Refractivity: 104.7943 cm^3
• Polarizability: 37.633923 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.97
• LOG S: -3.98
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4