methyl N-(4-{5-[(2-methoxyethyl)carbamoyl]furan-2-yl}phenyl)carbamate

• ChemBase ID: 676405
• Molecular Formular: C16H18N2O5
• Molecular Mass: 318.32452
• Monoisotopic Mass: 318.12157169
• SMILES: o1c(C(=O)NCCOC)ccc1c1ccc(NC(=O)OC)cc1
• Canonical SMILES: COCCNC(=O)c1ccc(o1)c1ccc(cc1)NC(=O)OC
• InChI: InChI=1S/C16H18N2O5/c1-21-10-9-17-15(19)14-8-7-13(23-14)11-3-5-12(6-4-11)18-16(20)22-2/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20)
• InChIKey: XQDABCNSDYSRSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-(4-{5-[(2-methoxyethyl)carbamoyl]furan-2-yl}phenyl)carbamate
• IUPAC Traditional name: methyl N-(4-{5-[(2-methoxyethyl)carbamoyl]furan-2-yl}phenyl)carbamate
• Synonyms: methyl [4-(5-{[(2-methoxyethyl)amino]carbonyl}-2-furyl)phenyl]carbamate

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.874645
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4850613
• LogD (pH = 7.4): 1.48506
• Log P: 1.4850613
• Molar Refractivity: 84.9678 cm^3
• Polarizability: 32.794968 Å^3
• Polar Surface Area: 89.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.89
• LOG S: -3.14
• Polar Surface Area: 89.8 Å^2
• Rotatable Bonds: 7