N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase ID: 764491
• Molecular Formular: C18H20N4O4
• Molecular Mass: 356.3758
• Monoisotopic Mass: 356.14845514
• SMILES: c1(C(=O)N(Cc2cc3c(non3)cc2)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: CN(C(=O)c1coc(c1)CN1CCOCC1)Cc1ccc2c(c1)non2
• InChI: InChI=1S/C18H20N4O4/c1-21(10-13-2-3-16-17(8-13)20-26-19-16)18(23)14-9-15(25-12-14)11-22-4-6-24-7-5-22/h2-3,8-9,12H,4-7,10-11H2,1H3
• InChIKey: NTORXKVHTUZASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.79890496
• LogD (pH = 7.4): 1.122698
• Log P: 1.128877
• Molar Refractivity: 95.6273 cm^3
• Polarizability: 36.66889 Å^3
• Polar Surface Area: 84.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.44
• LOG S: -2.17
• Polar Surface Area: 84.84 Å^2
• Rotatable Bonds: 5