(1-benzothiophen-2-ylmethyl)(methyl){[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl}amine

• ChemBase ID: 674689
• Molecular Formular: C20H20N2O2S
• Molecular Mass: 352.45
• Monoisotopic Mass: 352.12454889
• SMILES: n1c(oc(c1CN(Cc1sc2c(c1)cccc2)C)C)c1oc(cc1)C
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccc(o1)C)Cc1cc2c(s1)cccc2
• InChI: InChI=1S/C20H20N2O2S/c1-13-8-9-18(23-13)20-21-17(14(2)24-20)12-22(3)11-16-10-15-6-4-5-7-19(15)25-16/h4-10H,11-12H2,1-3H3
• InChIKey: UPRIVYGKIMVFTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzothiophen-2-ylmethyl)(methyl){[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC Traditional name: (1-benzothiophen-2-ylmethyl)(methyl){[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl}amine
• Synonyms: (1-benzothien-2-ylmethyl)methyl{[5-methyl-2-(5-methyl-2-furyl)-1,3-oxazol-4-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.079906
• LogD (pH = 7.4): 3.7501097
• Log P: 4.1550827
• Molar Refractivity: 110.3166 cm^3
• Polarizability: 39.807243 Å^3
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.88
• LOG S: -4.74
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 5