N-(9H-fluoren-2-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 563504
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: C12(C(=O)NCCC2)CN(C(=O)Nc2cc3c(c4c(C3)cccc4)cc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2=O)Nc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C22H23N3O2/c26-20-22(8-3-10-23-20)9-11-25(14-22)21(27)24-17-6-7-19-16(13-17)12-15-4-1-2-5-18(15)19/h1-2,4-7,13H,3,8-12,14H2,(H,23,26)(H,24,27)
• InChIKey: XSYZIRBCZCTLGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-2-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(9H-fluoren-2-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-9H-fluoren-2-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3037615
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8187692
• LogD (pH = 7.4): 2.8187687
• Log P: 2.8187692
• Molar Refractivity: 105.9227 cm^3
• Polarizability: 40.966423 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: 2
• H Donor: 2
• Log P: 1.87
• LOG S: -4.54
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1