N-(2-{4-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide

• ChemBase ID: 732195
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: c1(nc2c(n1CC)cccc2)CN1CC(OCC1)CCNC(=O)C
• Canonical SMILES: CCn1c(CN2CCOC(C2)CCNC(=O)C)nc2c1cccc2
• InChI: InChI=1S/C18H26N4O2/c1-3-22-17-7-5-4-6-16(17)20-18(22)13-21-10-11-24-15(12-21)8-9-19-14(2)23/h4-7,15H,3,8-13H2,1-2H3,(H,19,23)
• InChIKey: WNOIOWFWDJVRFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{4-[(1-ethyl-1,3-benzodiazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
• Synonyms: N-(2-{4-[(1-ethyl-1H-benzimidazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.691488
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.299763
• LogD (pH = 7.4): 0.7667371
• Log P: 0.7776404
• Molar Refractivity: 93.4872 cm^3
• Polarizability: 37.518326 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.6
• LOG S: -2.98
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 6