3-(2,5-dimethoxyphenyl)-1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine

• ChemBase ID: 553948
• Molecular Formular: C19H23NO5
• Molecular Mass: 345.38962
• Monoisotopic Mass: 345.15762284
• SMILES: N1(C(=O)c2oc(cc2)COC)CC(c2c(ccc(c2)OC)OC)CC1
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCC(C1)c1cc(OC)ccc1OC
• InChI: InChI=1S/C19H23NO5/c1-22-12-15-5-7-18(25-15)19(21)20-9-8-13(11-20)16-10-14(23-2)4-6-17(16)24-3/h4-7,10,13H,8-9,11-12H2,1-3H3
• InChIKey: VTTSTSQKQJGQLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethoxyphenyl)-1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine
• IUPAC Traditional name: 3-(2,5-dimethoxyphenyl)-1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine
• Synonyms: 3-(2,5-dimethoxyphenyl)-1-[5-(methoxymethyl)-2-furoyl]pyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7164944
• LogD (pH = 7.4): 1.7164944
• Log P: 1.7164944
• Molar Refractivity: 93.7993 cm^3
• Polarizability: 35.701275 Å^3
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.06
• LOG S: -3.48
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 6