2-(3,4-dichlorophenyl)-4-(2,3-dihydro-1-benzofuran-7-carbonyl)morpholine

• ChemBase ID: 545878
• Molecular Formular: C19H17Cl2NO3
• Molecular Mass: 378.24918
• Monoisotopic Mass: 377.05854877
• SMILES: C(=O)(c1c2OCCc2ccc1)N1CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: O=C(c1cccc2c1OCC2)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C19H17Cl2NO3/c20-15-5-4-13(10-16(15)21)17-11-22(7-9-24-17)19(23)14-3-1-2-12-6-8-25-18(12)14/h1-5,10,17H,6-9,11H2
• InChIKey: CAMLGQQPMXXQCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-(2,3-dihydro-1-benzofuran-7-carbonyl)morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-(2,3-dihydro-1-benzofuran-7-carbonyl)morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(2,3-dihydro-1-benzofuran-7-ylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9272845
• LogD (pH = 7.4): 3.9272845
• Log P: 3.9272845
• Molar Refractivity: 97.6695 cm^3
• Polarizability: 37.447342 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.3
• LOG S: -4.78
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2