3-(3,4-dimethoxyphenyl)-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide

• ChemBase ID: 443998
• Molecular Formular: C19H26N2O3S
• Molecular Mass: 362.48634
• Monoisotopic Mass: 362.1664137
• SMILES: c1(nc(sc1C)C)C(N(C(=O)CCc1cc(c(cc1)OC)OC)C)C
• Canonical SMILES: COc1cc(CCC(=O)N(C(c2nc(sc2C)C)C)C)ccc1OC
• InChI: InChI=1S/C19H26N2O3S/c1-12(19-13(2)25-14(3)20-19)21(4)18(22)10-8-15-7-9-16(23-5)17(11-15)24-6/h7,9,11-12H,8,10H2,1-6H3
• InChIKey: HLOMPMQJKSWGOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-dimethoxyphenyl)-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
• IUPAC Traditional name: 3-(3,4-dimethoxyphenyl)-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide
• Synonyms: 3-(3,4-dimethoxyphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1797724
• LogD (pH = 7.4): 3.1830158
• Log P: 3.1830573
• Molar Refractivity: 99.7983 cm^3
• Polarizability: 38.52102 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.68
• LOG S: -4.13
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7