N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide

• ChemBase ID: 583720
• Molecular Formular: C24H27N3O4
• Molecular Mass: 421.48888
• Monoisotopic Mass: 421.20015636
• SMILES: N(C(=O)c1occc1)(Cc1cc(OCCN2CCOCC2)ccc1)Cc1ncccc1
• Canonical SMILES: O=C(c1ccco1)N(Cc1ccccn1)Cc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C24H27N3O4/c28-24(23-8-4-13-31-23)27(19-21-6-1-2-9-25-21)18-20-5-3-7-22(17-20)30-16-12-26-10-14-29-15-11-26/h1-9,13,17H,10-12,14-16,18-19H2
• InChIKey: JRZWBHVFROPHMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
• Synonyms: N-{3-[2-(4-morpholinyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0847443
• LogD (pH = 7.4): 2.2143526
• Log P: 2.2867033
• Molar Refractivity: 117.4236 cm^3
• Polarizability: 45.219994 Å^3
• Polar Surface Area: 68.04 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.67
• LOG S: -2.53
• Polar Surface Area: 68.04 Å^2
• Rotatable Bonds: 9