N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-{4-[(5-methylfuran-2-yl)methyl]morpholin-3-yl}acetamide

• ChemBase ID: 747832
• Molecular Formular: C18H25N3O3S
• Molecular Mass: 363.4744
• Monoisotopic Mass: 363.16166268
• SMILES: n1c(csc1CC)CNC(=O)CC1N(Cc2oc(cc2)C)CCOC1
• Canonical SMILES: CCc1scc(n1)CNC(=O)CC1COCCN1Cc1ccc(o1)C
• InChI: InChI=1S/C18H25N3O3S/c1-3-18-20-14(12-25-18)9-19-17(22)8-15-11-23-7-6-21(15)10-16-5-4-13(2)24-16/h4-5,12,15H,3,6-11H2,1-2H3,(H,19,22)
• InChIKey: HDXXCKPVGIYDIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-{4-[(5-methylfuran-2-yl)methyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-{4-[(5-methylfuran-2-yl)methyl]morpholin-3-yl}acetamide
• Synonyms: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-{4-[(5-methyl-2-furyl)methyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.881013
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.19545841
• LogD (pH = 7.4): 1.3540258
• Log P: 1.435785
• Molar Refractivity: 96.7553 cm^3
• Polarizability: 37.39817 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.99
• LOG S: -2.7
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7