2-(4-{[5-(cyclohexylsulfanyl)furan-2-yl]methyl}morpholin-3-yl)-N,N-dimethylacetamide

• ChemBase ID: 514031
• Molecular Formular: C19H30N2O3S
• Molecular Mass: 366.5181
• Monoisotopic Mass: 366.19771383
• SMILES: c1(oc(CN2C(CC(=O)N(C)C)COCC2)cc1)SC1CCCCC1
• Canonical SMILES: O=C(N(C)C)CC1COCCN1Cc1ccc(o1)SC1CCCCC1
• InChI: InChI=1S/C19H30N2O3S/c1-20(2)18(22)12-15-14-23-11-10-21(15)13-16-8-9-19(24-16)25-17-6-4-3-5-7-17/h8-9,15,17H,3-7,10-14H2,1-2H3
• InChIKey: YWKZHGQBMSNVGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{[5-(cyclohexylsulfanyl)furan-2-yl]methyl}morpholin-3-yl)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(4-{[5-(cyclohexylsulfanyl)furan-2-yl]methyl}morpholin-3-yl)-N,N-dimethylacetamide
• Synonyms: 2-(4-{[5-(cyclohexylthio)-2-furyl]methyl}-3-morpholinyl)-N,N-dimethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5620059
• LogD (pH = 7.4): 2.4425461
• Log P: 2.4807842
• Molar Refractivity: 101.2607 cm^3
• Polarizability: 39.853718 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.47
• LOG S: -3.98
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6