7-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 706045
• Molecular Formular: C18H20N2O4
• Molecular Mass: 328.3624
• Monoisotopic Mass: 328.14230713
• SMILES: C12(C(=O)NC(=O)C1)CN(C(=O)c1cc3c(cc1OC)CCC3)CC2
• Canonical SMILES: COc1cc2CCCc2cc1C(=O)N1CCC2(C1)CC(=O)NC2=O
• InChI: InChI=1S/C18H20N2O4/c1-24-14-8-12-4-2-3-11(12)7-13(14)16(22)20-6-5-18(10-20)9-15(21)19-17(18)23/h7-8H,2-6,9-10H2,1H3,(H,19,21,23)
• InChIKey: MPRMIPKZALZYIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110259
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9910439
• LogD (pH = 7.4): 0.99021876
• Log P: 0.9910546
• Molar Refractivity: 87.4129 cm^3
• Polarizability: 33.091347 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.02
• LOG S: -2.75
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2