7-methyl-2-{8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 516425
• Molecular Formular: C22H24N2O2
• Molecular Mass: 348.43816
• Monoisotopic Mass: 348.18377802
• SMILES: C12(C(=O)N(CCC2)C)CN(Cc2c3oc4c(c3ccc2)cccc4)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)Cc1cccc2c1oc1c2cccc1
• InChI: InChI=1S/C22H24N2O2/c1-23-12-5-10-22(21(23)25)11-13-24(15-22)14-16-6-4-8-18-17-7-2-3-9-19(17)26-20(16)18/h2-4,6-9H,5,10-15H2,1H3
• InChIKey: LRKUNUKZDVJGIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(dibenzo[b,d]furan-4-ylmethyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.44173652
• LogD (pH = 7.4): 0.123935916
• Log P: 3.0445528
• Molar Refractivity: 102.3824 cm^3
• Polarizability: 41.985325 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.08
• LOG S: -3.08
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2