3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 322007
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: N1(C(=O)NC2(C1=O)CCNCC2)C1Cc2c(C1)cccc2
• Canonical SMILES: O=C1NC2(C(=O)N1C1Cc3c(C1)cccc3)CCNCC2
• InChI: InChI=1S/C16H19N3O2/c20-14-16(5-7-17-8-6-16)18-15(21)19(14)13-9-11-3-1-2-4-12(11)10-13/h1-4,13,17H,5-10H2,(H,18,21)
• InChIKey: ZAIDUIICLPLPES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(2,3-dihydro-1H-inden-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.617757
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4611855
• LogD (pH = 7.4): -1.7638444
• Log P: 0.6011329
• Molar Refractivity: 78.4864 cm^3
• Polarizability: 30.502932 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.68
• LOG S: -2.72
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1