7-(2,2-dimethylpropyl)-2-(1H-indole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 843152
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(C(=O)N2CC3(C(=O)N(CC(C)(C)C)CCC3)CC2)[nH]c2c(c1)cccc2
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC(C)(C)C)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C22H29N3O2/c1-21(2,3)14-25-11-6-9-22(20(25)27)10-12-24(15-22)19(26)18-13-16-7-4-5-8-17(16)23-18/h4-5,7-8,13,23H,6,9-12,14-15H2,1-3H3
• InChIKey: YGVONSZHJMYDFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2,2-dimethylpropyl)-2-(1H-indole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2,2-dimethylpropyl)-2-(1H-indole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2,2-dimethylpropyl)-2-(1H-indol-2-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.328704
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8642118
• LogD (pH = 7.4): 2.86421
• Log P: 2.8642144
• Molar Refractivity: 106.649 cm^3
• Polarizability: 42.067104 Å^3
• Polar Surface Area: 56.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.82
• LOG S: -3.43
• Polar Surface Area: 56.41 Å^2
• Rotatable Bonds: 3