8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 541206
• Molecular Formular: C18H24N2O4
• Molecular Mass: 332.39416
• Monoisotopic Mass: 332.17360726
• SMILES: N1(C2(CCN(Cc3cc4c(OCCO4)cc3)CC2)CCC1=O)OC
• Canonical SMILES: CON1C(=O)CCC21CCN(CC2)Cc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H24N2O4/c1-22-20-17(21)4-5-18(20)6-8-19(9-7-18)13-14-2-3-15-16(12-14)24-11-10-23-15/h2-3,12H,4-11,13H2,1H3
• InChIKey: PYCWYIXRPYSWEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4958417
• LogD (pH = 7.4): 0.26964718
• Log P: 0.98335016
• Molar Refractivity: 89.4155 cm^3
• Polarizability: 35.03754 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.9
• LOG S: -2.39
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 3