N-(1-ethyl-1H-indazol-3-yl)-2-[5-(1-phenylcyclopropyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

• ChemBase ID: 373386
• Molecular Formular: C21H21N7O
• Molecular Mass: 387.43774
• Monoisotopic Mass: 387.18075833
• SMILES: c1(nn(nn1)CC(=O)Nc1nn(c2c1cccc2)CC)C1(CC1)c1ccccc1
• Canonical SMILES: CCn1nc(c2c1cccc2)NC(=O)Cn1nnc(n1)C1(CC1)c1ccccc1
• InChI: InChI=1S/C21H21N7O/c1-2-27-17-11-7-6-10-16(17)19(24-27)22-18(29)14-28-25-20(23-26-28)21(12-13-21)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,24,29)
• InChIKey: VJSXNFRCHQGLNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-1H-indazol-3-yl)-2-[5-(1-phenylcyclopropyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide
• IUPAC Traditional name: N-(1-ethylindazol-3-yl)-2-[5-(1-phenylcyclopropyl)-1,2,3,4-tetrazol-2-yl]acetamide
• Synonyms: N-(1-ethyl-1H-indazol-3-yl)-2-[5-(1-phenylcyclopropyl)-2H-tetrazol-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.104694
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.235639
• LogD (pH = 7.4): 4.235559
• Log P: 4.235642
• Molar Refractivity: 144.9942 cm^3
• Polarizability: 42.07745 Å^3
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.24
• LOG S: -4.79
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 6