[1-(dimethyl-1,3-thiazol-4-yl)ethyl](methyl)[(2,4,6-trimethoxyphenyl)methyl]amine

• ChemBase ID: 707390
• Molecular Formular: C18H26N2O3S
• Molecular Mass: 350.47564
• Monoisotopic Mass: 350.1664137
• SMILES: c1(nc(sc1C)C)C(N(Cc1c(cc(cc1OC)OC)OC)C)C
• Canonical SMILES: COc1cc(OC)cc(c1CN(C(c1nc(sc1C)C)C)C)OC
• InChI: InChI=1S/C18H26N2O3S/c1-11(18-12(2)24-13(3)19-18)20(4)10-15-16(22-6)8-14(21-5)9-17(15)23-7/h8-9,11H,10H2,1-7H3
• InChIKey: TYUGXGFXDCVYGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(dimethyl-1,3-thiazol-4-yl)ethyl](methyl)[(2,4,6-trimethoxyphenyl)methyl]amine
• IUPAC Traditional name: [1-(dimethyl-1,3-thiazol-4-yl)ethyl](methyl)[(2,4,6-trimethoxyphenyl)methyl]amine
• Synonyms: 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-(2,4,6-trimethoxybenzyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6059096
• LogD (pH = 7.4): 3.2261124
• Log P: 3.2440565
• Molar Refractivity: 97.28 cm^3
• Polarizability: 37.664043 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.93
• LOG S: -3.25
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 7