1-benzyl-5-[(3-ethoxypropyl)amino]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 536713
• Molecular Formular: C22H32N4O2
• Molecular Mass: 384.51508
• Monoisotopic Mass: 384.25252628
• SMILES: c1(c2c(n(n1)Cc1ccccc1)CCC(C2)NCCCOCC)C(=O)N(C)C
• Canonical SMILES: CCOCCCNC1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N(C)C
• InChI: InChI=1S/C22H32N4O2/c1-4-28-14-8-13-23-18-11-12-20-19(15-18)21(22(27)25(2)3)24-26(20)16-17-9-6-5-7-10-17/h5-7,9-10,18,23H,4,8,11-16H2,1-3H3
• InChIKey: MWKWZNOYRAHLMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-[(3-ethoxypropyl)amino]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 1-benzyl-5-[(3-ethoxypropyl)amino]-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 1-benzyl-5-[(3-ethoxypropyl)amino]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.86224955
• LogD (pH = 7.4): 0.078223266
• Log P: 2.3345418
• Molar Refractivity: 124.3466 cm^3
• Polarizability: 42.92094 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.18
• LOG S: -4.52
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7