4-[(2,6-dichloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine

• ChemBase ID: 865176
• Molecular Formular: C16H23Cl2NO4
• Molecular Mass: 364.26412
• Monoisotopic Mass: 363.10041358
• SMILES: c1(c(c(c(cc1Cl)OC)OC)Cl)CN1CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1c(Cl)cc(c(c1Cl)OC)OC
• InChI: InChI=1S/C16H23Cl2NO4/c1-20-6-4-11-9-19(5-7-23-11)10-12-13(17)8-14(21-2)16(22-3)15(12)18/h8,11H,4-7,9-10H2,1-3H3
• InChIKey: UJBNVLXKSOXDIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,6-dichloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
• IUPAC Traditional name: 4-[(2,6-dichloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
• Synonyms: 4-(2,6-dichloro-3,4-dimethoxybenzyl)-2-(2-methoxyethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4965777
• LogD (pH = 7.4): 2.6591191
• Log P: 2.6616402
• Molar Refractivity: 91.7903 cm^3
• Polarizability: 36.11803 Å^3
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.74
• LOG S: -3.19
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 7