ethyl 2-[(furan-2-ylmethyl)(thiophen-3-ylmethyl)amino]acetate

• ChemBase ID: 499882
• Molecular Formular: C14H17NO3S
• Molecular Mass: 279.35468
• Monoisotopic Mass: 279.09291441
• SMILES: c1(cscc1)CN(Cc1occc1)CC(=O)OCC
• Canonical SMILES: CCOC(=O)CN(Cc1ccsc1)Cc1ccco1
• InChI: InChI=1S/C14H17NO3S/c1-2-17-14(16)10-15(8-12-5-7-19-11-12)9-13-4-3-6-18-13/h3-7,11H,2,8-10H2,1H3
• InChIKey: YOZRUITVTWEEIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(furan-2-ylmethyl)(thiophen-3-ylmethyl)amino]acetate
• IUPAC Traditional name: ethyl 2-[(furan-2-ylmethyl)(thiophen-3-ylmethyl)amino]acetate
• Synonyms: ethyl [(2-furylmethyl)(3-thienylmethyl)amino]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1939204
• LogD (pH = 7.4): 2.4558797
• Log P: 2.4604895
• Molar Refractivity: 74.3123 cm^3
• Polarizability: 28.795439 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.09
• LOG S: -2.87
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8