2-(1-benzofuran-2-ylmethyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 689526
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: C12(C(=O)N(Cc3cnccc3)CCC2)CN(Cc2oc3c(c2)cccc3)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1cc2c(o1)cccc2)Cc1cccnc1
• InChI: InChI=1S/C23H25N3O2/c27-22-23(8-4-11-26(22)15-18-5-3-10-24-14-18)9-12-25(17-23)16-20-13-19-6-1-2-7-21(19)28-20/h1-3,5-7,10,13-14H,4,8-9,11-12,15-17H2
• InChIKey: DJVCZDLBYRXQLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzofuran-2-ylmethyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(1-benzofuran-2-ylmethyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(1-benzofuran-2-ylmethyl)-7-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0220687
• LogD (pH = 7.4): 0.24539
• Log P: 2.4524767
• Molar Refractivity: 108.3879 cm^3
• Polarizability: 43.103947 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.65
• LOG S: -2.63
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 4