N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 576962
• Molecular Formular: C17H17N3O2S
• Molecular Mass: 327.40078
• Monoisotopic Mass: 327.1041478
• SMILES: n1c(CC(=O)N(Cc2occc2)Cc2ncccc2)csc1C
• Canonical SMILES: Cc1scc(n1)CC(=O)N(Cc1ccco1)Cc1ccccn1
• InChI: InChI=1S/C17H17N3O2S/c1-13-19-15(12-23-13)9-17(21)20(11-16-6-4-8-22-16)10-14-5-2-3-7-18-14/h2-8,12H,9-11H2,1H3
• InChIKey: DKMSICACXQSEEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: N-(2-furylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7730759
• LogD (pH = 7.4): 1.7918594
• Log P: 1.7921038
• Molar Refractivity: 87.1953 cm^3
• Polarizability: 33.607822 Å^3
• Polar Surface Area: 59.23 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: 1.08
• LOG S: -1.21
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 6