7-(9H-fluorene-9-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 698771
• Molecular Formular: C21H18N2O3
• Molecular Mass: 346.37922
• Monoisotopic Mass: 346.13174245
• SMILES: C12(C(=O)NC(=O)C1)CN(C(=O)C1c3c(c4c1cccc4)cccc3)CC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)C1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H18N2O3/c24-17-11-21(20(26)22-17)9-10-23(12-21)19(25)18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,18H,9-12H2,(H,22,24,26)
• InChIKey: OWYOEYDUGZOHKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(9H-fluorene-9-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-(9H-fluorene-9-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-(9H-fluoren-9-ylcarbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110252
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.471965
• LogD (pH = 7.4): 1.4711397
• Log P: 1.4719754
• Molar Refractivity: 95.8676 cm^3
• Polarizability: 38.140392 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.18
• LOG S: -4.49
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1