2-(pyrrolidine-1-carbonyl)-4-(3,4,5-trimethoxybenzoyl)morpholine

• ChemBase ID: 471818
• Molecular Formular: C19H26N2O6
• Molecular Mass: 378.41954
• Monoisotopic Mass: 378.17908656
• SMILES: N1(C(=O)c2cc(c(c(c2)OC)OC)OC)CC(C(=O)N2CCCC2)OCC1
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)N1CCOC(C1)C(=O)N1CCCC1
• InChI: InChI=1S/C19H26N2O6/c1-24-14-10-13(11-15(25-2)17(14)26-3)18(22)21-8-9-27-16(12-21)19(23)20-6-4-5-7-20/h10-11,16H,4-9,12H2,1-3H3
• InChIKey: VYWZVGMWOPBTLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidine-1-carbonyl)-4-(3,4,5-trimethoxybenzoyl)morpholine
• IUPAC Traditional name: 2-(pyrrolidine-1-carbonyl)-4-(3,4,5-trimethoxybenzoyl)morpholine
• Synonyms: 2-(1-pyrrolidinylcarbonyl)-4-(3,4,5-trimethoxybenzoyl)morpholine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.62816
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.3158705
• LogD (pH = 7.4): 0.31587058
• Log P: 0.31587058
• Molar Refractivity: 98.3804 cm^3
• Polarizability: 37.828243 Å^3
• Polar Surface Area: 77.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.4
• LOG S: -3.15
• Polar Surface Area: 77.54 Å^2
• Rotatable Bonds: 5