7-[2-(4-fluorophenoxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 722574
• Molecular Formular: C16H21FN2O3
• Molecular Mass: 308.3479432
• Monoisotopic Mass: 308.15362076
• SMILES: C1(=O)N(CC2(O1)CN(CCOc1ccc(F)cc1)CCC2)C
• Canonical SMILES: Fc1ccc(cc1)OCCN1CCCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C16H21FN2O3/c1-18-11-16(22-15(18)20)7-2-8-19(12-16)9-10-21-14-5-3-13(17)4-6-14/h3-6H,2,7-12H2,1H3
• InChIKey: DZQKASGEPIIGDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(4-fluorophenoxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-[2-(4-fluorophenoxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-[2-(4-fluorophenoxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.50753564
• LogD (pH = 7.4): 1.264843
• Log P: 2.0595593
• Molar Refractivity: 79.8024 cm^3
• Polarizability: 31.098505 Å^3
• Polar Surface Area: 42.01 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: 2.34
• LOG S: -2.44
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4