5-(benzylamino)-1-(cyclohexylmethyl)-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 750919
• Molecular Formular: C24H34N4O
• Molecular Mass: 394.55296
• Monoisotopic Mass: 394.27326173
• SMILES: c1(c2c(n(n1)CC1CCCCC1)CCC(C2)NCc1ccccc1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CC(CC2)NCc1ccccc1)CC1CCCCC1)C
• InChI: InChI=1S/C24H34N4O/c1-27(2)24(29)23-21-15-20(25-16-18-9-5-3-6-10-18)13-14-22(21)28(26-23)17-19-11-7-4-8-12-19/h3,5-6,9-10,19-20,25H,4,7-8,11-17H2,1-2H3
• InChIKey: ROMKBFAJQZBIGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzylamino)-1-(cyclohexylmethyl)-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 5-(benzylamino)-1-(cyclohexylmethyl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 5-(benzylamino)-1-(cyclohexylmethyl)-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9145555
• LogD (pH = 7.4): 2.0516672
• Log P: 4.079033
• Molar Refractivity: 129.4341 cm^3
• Polarizability: 45.187317 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.32
• LOG S: -5.64
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6