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

• ChemBase ID: 315995
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: C1(=O)N(CC2(O1)CN(Cc1oc3c(c1)cccc3)CCC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)Cc1cc2c(o1)cccc2
• InChI: InChI=1S/C17H20N2O3/c1-18-11-17(22-16(18)20)7-4-8-19(12-17)10-14-9-13-5-2-3-6-15(13)21-14/h2-3,5-6,9H,4,7-8,10-12H2,1H3
• InChIKey: PYKPTDPUHSKSSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7474228
• LogD (pH = 7.4): 1.0131224
• Log P: 2.0764055
• Molar Refractivity: 82.365 cm^3
• Polarizability: 33.243313 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.34
• LOG S: -2.38
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 2