5-{5-[2-(furan-2-yl)-2-phenylethyl]-1,2,4-oxadiazol-3-yl}-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 500220
• Molecular Formular: C23H22N4O2
• Molecular Mass: 386.44638
• Monoisotopic Mass: 386.17427596
• SMILES: c1(nc(on1)CC(c1occc1)c1ccccc1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)CC(c1ccco1)c1ccccc1)CCNC2
• InChI: InChI=1S/C23H22N4O2/c1-15-22(18-9-10-24-13-17(18)14-25-15)23-26-21(29-27-23)12-19(20-8-5-11-28-20)16-6-3-2-4-7-16/h2-8,11,14,19,24H,9-10,12-13H2,1H3
• InChIKey: PTLGCRSOPPZRBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{5-[2-(furan-2-yl)-2-phenylethyl]-1,2,4-oxadiazol-3-yl}-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 4-{5-[2-(furan-2-yl)-2-phenylethyl]-1,2,4-oxadiazol-3-yl}-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 5-{5-[2-(2-furyl)-2-phenylethyl]-1,2,4-oxadiazol-3-yl}-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.44719487
• LogD (pH = 7.4): 2.0071158
• Log P: 3.5539134
• Molar Refractivity: 121.9525 cm^3
• Polarizability: 42.400024 Å^3
• Polar Surface Area: 76.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.67
• LOG S: -3.29
• Polar Surface Area: 76.98 Å^2
• Rotatable Bonds: 5