N-[(2S,4R,6S)-2-ethyl-6-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}oxan-4-yl]benzamide

• ChemBase ID: 851963
• Molecular Formular: C20H23N3O2S
• Molecular Mass: 369.48052
• Monoisotopic Mass: 369.15109799
• SMILES: c12n(c(c(n1)C)[C@H]1O[C@H](C[C@@H](NC(=O)c3ccccc3)C1)CC)ccs2
• Canonical SMILES: CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@H](O1)c1c(C)nc2n1ccs2
• InChI: InChI=1S/C20H23N3O2S/c1-3-16-11-15(22-19(24)14-7-5-4-6-8-14)12-17(25-16)18-13(2)21-20-23(18)9-10-26-20/h4-10,15-17H,3,11-12H2,1-2H3,(H,22,24)/t15-,16+,17+/m1/s1
• InChIKey: SEZVVSQBRKEZLK-IKGGRYGDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6S)-2-ethyl-6-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}oxan-4-yl]benzamide
• IUPAC Traditional name: N-[(2S,4R,6S)-2-ethyl-6-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}oxan-4-yl]benzamide
• Synonyms: N-[(2S*,4R*,6S*)-2-ethyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)tetrahydro-2H-pyran-4-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.095422
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5914438
• LogD (pH = 7.4): 2.6033087
• Log P: 2.603462
• Molar Refractivity: 113.6576 cm^3
• Polarizability: 39.02286 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.37
• LOG S: -3.92
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4