8-(5-chloro-2-methoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 599547
• Molecular Formular: C17H21ClN2O4
• Molecular Mass: 352.81264
• Monoisotopic Mass: 352.11898484
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)CC)CC2)c(ccc(c1)Cl)OC
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)c1cc(Cl)ccc1OC
• InChI: InChI=1S/C17H21ClN2O4/c1-3-19-11-17(24-16(19)22)6-8-20(9-7-17)15(21)13-10-12(18)4-5-14(13)23-2/h4-5,10H,3,6-9,11H2,1-2H3
• InChIKey: SRCLIFXNXAGATI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-chloro-2-methoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(5-chloro-2-methoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(5-chloro-2-methoxybenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6996549
• LogD (pH = 7.4): 1.6996549
• Log P: 1.6996549
• Molar Refractivity: 90.2129 cm^3
• Polarizability: 34.651886 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.37
• LOG S: -3.8
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 3