4-{3,9-diazaspiro[5.6]dodecane-9-carbonyl}-9,10-dihydroacridin-9-one

• ChemBase ID: 510307
• Molecular Formular: C24H27N3O2
• Molecular Mass: 389.49008
• Monoisotopic Mass: 389.21032712
• SMILES: c12c(C(=O)N3CCC4(CCC3)CCNCC4)cccc2c(=O)c2c([nH]1)cccc2
• Canonical SMILES: O=C(c1cccc2c1[nH]c1ccccc1c2=O)N1CCCC2(CC1)CCNCC2
• InChI: InChI=1S/C24H27N3O2/c28-22-17-5-1-2-8-20(17)26-21-18(22)6-3-7-19(21)23(29)27-15-4-9-24(12-16-27)10-13-25-14-11-24/h1-3,5-8,25H,4,9-16H2,(H,26,28)
• InChIKey: ADZSFHISSLOCQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3,9-diazaspiro[5.6]dodecane-9-carbonyl}-9,10-dihydroacridin-9-one
• IUPAC Traditional name: 4-{3,9-diazaspiro[5.6]dodecane-9-carbonyl}-10H-acridin-9-one
• Synonyms: 4-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)acridin-9(10H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.709975
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0083826
• LogD (pH = 7.4): 1.4815385
• Log P: 4.239328
• Molar Refractivity: 114.9304 cm^3
• Polarizability: 43.70325 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: 4.5
• LOG S: -6.99
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 1