{[3,5-dichloro-4-(prop-2-en-1-yloxy)phenyl]methyl}({[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl})amine

• ChemBase ID: 780408
• Molecular Formular: C17H15Cl2N3O3
• Molecular Mass: 380.2253
• Monoisotopic Mass: 379.04904672
• SMILES: n1c(onc1CNCc1cc(c(c(c1)Cl)OCC=C)Cl)c1occc1
• Canonical SMILES: C=CCOc1c(Cl)cc(cc1Cl)CNCc1noc(n1)c1ccco1
• InChI: InChI=1S/C17H15Cl2N3O3/c1-2-5-24-16-12(18)7-11(8-13(16)19)9-20-10-15-21-17(25-22-15)14-4-3-6-23-14/h2-4,6-8,20H,1,5,9-10H2
• InChIKey: DKJZPMTZJSYFFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3,5-dichloro-4-(prop-2-en-1-yloxy)phenyl]methyl}({[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl})amine
• IUPAC Traditional name: {[3,5-dichloro-4-(prop-2-en-1-yloxy)phenyl]methyl}({[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl})amine
• Synonyms: 1-[4-(allyloxy)-3,5-dichlorophenyl]-N-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3103526
• LogD (pH = 7.4): 4.240107
• Log P: 4.2839637
• Molar Refractivity: 106.7734 cm^3
• Polarizability: 37.19957 Å^3
• Polar Surface Area: 73.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.35
• LOG S: -3.83
• Polar Surface Area: 73.32 Å^2
• Rotatable Bonds: 8