N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(2-phenylethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 424724
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: c1(c2c(n(n1)C)CCC(C2)NCCc1ccccc1)C(=O)N(Cc1occc1)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(NCCc1ccccc1)CC2)C)Cc1ccco1
• InChI: InChI=1S/C23H28N4O2/c1-26(16-19-9-6-14-29-19)23(28)22-20-15-18(10-11-21(20)27(2)25-22)24-13-12-17-7-4-3-5-8-17/h3-9,14,18,24H,10-13,15-16H2,1-2H3
• InChIKey: UCCRBETWGCIHBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(2-phenylethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-(2-furylmethyl)-N,1-dimethyl-5-[(2-phenylethyl)amino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17191175
• LogD (pH = 7.4): 0.64424855
• Log P: 3.0381308
• Molar Refractivity: 125.4476 cm^3
• Polarizability: 43.08496 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.96
• LOG S: -4.77
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 7