2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

• ChemBase ID: 560605
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: n1c(scc1CN(C(=O)CN1C[C@H](O[C@H](C1)C)C)C)c1ccccc1
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)CC(=O)N(Cc1csc(n1)c1ccccc1)C
• InChI: InChI=1S/C19H25N3O2S/c1-14-9-22(10-15(2)24-14)12-18(23)21(3)11-17-13-25-19(20-17)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3/t14-,15+
• InChIKey: OTLFVUADSGHHOS-GASCZTMLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• Synonyms: 2-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7838634
• LogD (pH = 7.4): 2.3952656
• Log P: 2.41272
• Molar Refractivity: 110.0008 cm^3
• Polarizability: 39.488247 Å^3
• Polar Surface Area: 45.67 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: 2.7
• LOG S: -4.13
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5