3-[3-(furan-2-yl)phenyl]-1-[3-(morpholin-4-yl)propyl]urea

• ChemBase ID: 404445
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: C(=O)(Nc1cc(c2occc2)ccc1)NCCCN1CCOCC1
• Canonical SMILES: O=C(Nc1cccc(c1)c1ccco1)NCCCN1CCOCC1
• InChI: InChI=1S/C18H23N3O3/c22-18(19-7-3-8-21-9-12-23-13-10-21)20-16-5-1-4-15(14-16)17-6-2-11-24-17/h1-2,4-6,11,14H,3,7-10,12-13H2,(H2,19,20,22)
• InChIKey: QSEDZGVVQPSZQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(furan-2-yl)phenyl]-1-[3-(morpholin-4-yl)propyl]urea
• IUPAC Traditional name: 3-[3-(furan-2-yl)phenyl]-1-[3-(morpholin-4-yl)propyl]urea
• Synonyms: N-[3-(2-furyl)phenyl]-N'-(3-morpholin-4-ylpropyl)urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.338974
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.19155066
• LogD (pH = 7.4): 1.532447
• Log P: 1.6686625
• Molar Refractivity: 93.9805 cm^3
• Polarizability: 36.695934 Å^3
• Polar Surface Area: 66.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.15
• LOG S: -3.44
• Polar Surface Area: 66.74 Å^2
• Rotatable Bonds: 6