N-[(3-methylphenyl)methyl]-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 664602
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: c1(c2c(n(n1)CC(C)C)CCC(C2)NCc1cc(ccc1)C)C(=O)N1CCOCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCC(C2)NCc1cccc(c1)C)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C24H34N4O2/c1-17(2)16-28-22-8-7-20(25-15-19-6-4-5-18(3)13-19)14-21(22)23(26-28)24(29)27-9-11-30-12-10-27/h4-6,13,17,20,25H,7-12,14-16H2,1-3H3
• InChIKey: TZZDPICETATCIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methylphenyl)methyl]-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-[(3-methylphenyl)methyl]-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: 1-isobutyl-N-(3-methylbenzyl)-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): 0.33508873
• LogD (pH = 7.4): 1.4508848
• Log P: 3.5039737
• Molar Refractivity: 131.549 cm^3
• Polarizability: 45.797222 Å^3
• Polar Surface Area: 59.39 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: 2.79
• LOG S: -4.81
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5