5-methoxy-9-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 776610
• Molecular Formular: C22H30N2O4
• Molecular Mass: 386.4846
• Monoisotopic Mass: 386.22055745
• SMILES: c1(c(n(c2c1cc(cc2)OC)C)C)C(=O)N1CCC2(CC1)OCCCC2OC
• Canonical SMILES: COc1ccc2c(c1)c(C(=O)N1CCC3(CC1)OCCCC3OC)c(n2C)C
• InChI: InChI=1S/C22H30N2O4/c1-15-20(17-14-16(26-3)7-8-18(17)23(15)2)21(25)24-11-9-22(10-12-24)19(27-4)6-5-13-28-22/h7-8,14,19H,5-6,9-13H2,1-4H3
• InChIKey: BLNBYVOJBYPUBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-9-(5-methoxy-1,2-dimethyl-1H-indole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 5-methoxy-9-(5-methoxy-1,2-dimethylindole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 5-methoxy-9-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.73
• Polar Surface Area: 52.93 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 0
• Log P: 2.0

JChem

• Molar Refractivity: 109.1457 cm^3
• Polarizability: 42.75075 Å^3
• Polar Surface Area: 52.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.93911
• LogD (pH = 7.4): 1.9391102
• Log P: 1.9391102