N-(1,1-dioxo-1λ6-thiolan-3-yl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 349488
• Molecular Formular: C17H21N3O3S
• Molecular Mass: 347.43194
• Monoisotopic Mass: 347.13036255
• SMILES: S1(=O)(=O)CC(N(C(=O)Cc2n3c(nc2)c(ccc3)C)CC=C)CC1
• Canonical SMILES: C=CCN(C1CCS(=O)(=O)C1)C(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C17H21N3O3S/c1-3-7-19(14-6-9-24(22,23)12-14)16(21)10-15-11-18-17-13(2)5-4-8-20(15)17/h3-5,8,11,14H,1,6-7,9-10,12H2,2H3
• InChIKey: OJCWEJYGCBZZMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(prop-2-en-1-yl)acetamide
• Synonyms: N-allyl-N-(1,1-dioxidotetrahydro-3-thienyl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.81180847
• LogD (pH = 7.4): -0.06883287
• Log P: -0.017536817
• Molar Refractivity: 93.492 cm^3
• Polarizability: 36.057358 Å^3
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.4
• LOG S: -2.08
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 5