1-[5-(methoxymethyl)furan-2-carbonyl]-4-(2-methoxyphenyl)-2-methylpiperazine

• ChemBase ID: 324746
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: N1(C(=O)c2oc(cc2)COC)C(CN(c2c(OC)cccc2)CC1)C
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCN(CC1C)c1ccccc1OC
• InChI: InChI=1S/C19H24N2O4/c1-14-12-20(16-6-4-5-7-17(16)24-3)10-11-21(14)19(22)18-9-8-15(25-18)13-23-2/h4-9,14H,10-13H2,1-3H3
• InChIKey: SPHVWZOGXSFAMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(methoxymethyl)furan-2-carbonyl]-4-(2-methoxyphenyl)-2-methylpiperazine
• IUPAC Traditional name: 1-[5-(methoxymethyl)furan-2-carbonyl]-4-(2-methoxyphenyl)-2-methylpiperazine
• Synonyms: 1-[5-(methoxymethyl)-2-furoyl]-4-(2-methoxyphenyl)-2-methylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1240482
• LogD (pH = 7.4): 2.1244018
• Log P: 2.1244063
• Molar Refractivity: 96.1959 cm^3
• Polarizability: 36.156403 Å^3
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.85
• LOG S: -3.29
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 5