N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide

• ChemBase ID: 700866
• Molecular Formular: C17H23N3O2S
• Molecular Mass: 333.44842
• Monoisotopic Mass: 333.15109799
• SMILES: c1(c(ncc(c1OC)C)CN(C(=O)CCc1c(ncs1)C)C)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)CCc1scnc1C)C
• InChI: InChI=1S/C17H23N3O2S/c1-11-8-18-14(12(2)17(11)22-5)9-20(4)16(21)7-6-15-13(3)19-10-23-15/h8,10H,6-7,9H2,1-5H3
• InChIKey: LRSMHZZKJVOGFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• IUPAC Traditional name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• Synonyms: N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1249144
• LogD (pH = 7.4): 2.0190995
• Log P: 2.0760188
• Molar Refractivity: 91.7993 cm^3
• Polarizability: 35.034584 Å^3
• Polar Surface Area: 55.32 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: 1.64
• LOG S: -3.03
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6