N-cyclooctyl-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 657215
• Molecular Formular: C24H40N4O2
• Molecular Mass: 416.6
• Monoisotopic Mass: 416.31512654
• SMILES: c1(c2c(n(n1)CC(C)C)CCC(C2)NC1CCCCCCC1)C(=O)N1CCOCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCC(C2)NC1CCCCCCC1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C24H40N4O2/c1-18(2)17-28-22-11-10-20(25-19-8-6-4-3-5-7-9-19)16-21(22)23(26-28)24(29)27-12-14-30-15-13-27/h18-20,25H,3-17H2,1-2H3
• InChIKey: PNCRFJZSYOIXLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-cyclooctyl-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-cyclooctyl-1-isobutyl-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7280832
• LogD (pH = 7.4): 1.303962
• Log P: 3.954487
• Molar Refractivity: 132.1114 cm^3
• Polarizability: 46.604794 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.42
• LOG S: -4.92
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 4