1-(2-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}-2-oxoethyl)-1H-indole-3-carboxamide

• ChemBase ID: 404709
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: c1(cn(c2c1cccc2)CC(=O)N1CC2(OC(=O)N(C2)C)CCC1)C(=O)N
• Canonical SMILES: O=C(N1CCCC2(C1)OC(=O)N(C2)C)Cn1cc(c2c1cccc2)C(=O)N
• InChI: InChI=1S/C19H22N4O4/c1-21-11-19(27-18(21)26)7-4-8-22(12-19)16(24)10-23-9-14(17(20)25)13-5-2-3-6-15(13)23/h2-3,5-6,9H,4,7-8,10-12H2,1H3,(H2,20,25)
• InChIKey: PXJARGHQZDXPRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}-2-oxoethyl)-1H-indole-3-carboxamide
• IUPAC Traditional name: 1-(2-{3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]decan-7-yl}-2-oxoethyl)indole-3-carboxamide
• Synonyms: 1-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.5]dec-7-yl)-2-oxoethyl]-1H-indole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.713106
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.34735513
• LogD (pH = 7.4): 0.3473553
• Log P: 0.3473553
• Molar Refractivity: 97.8655 cm^3
• Polarizability: 38.460854 Å^3
• Polar Surface Area: 97.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.57
• LOG S: -2.39
• Polar Surface Area: 97.87 Å^2
• Rotatable Bonds: 3