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

• ChemBase ID: 863775
• Molecular Formular: C19H20N4O2S
• Molecular Mass: 368.4527
• Monoisotopic Mass: 368.1306969
• SMILES: c1(nc(c2sc(cc2)C2OCCC2)on1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1ccc(s1)C1CCCO1)CCNC2
• InChI: InChI=1S/C19H20N4O2S/c1-11-17(13-6-7-20-9-12(13)10-21-11)18-22-19(25-23-18)16-5-4-15(26-16)14-3-2-8-24-14/h4-5,10,14,20H,2-3,6-9H2,1H3
• InChIKey: ZIHRCJZGDBQGEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-{5-[5-(oxolan-2-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-{5-[5-(oxolan-2-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl}-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-{5-[5-(tetrahydro-2-furanyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.32196507
• LogD (pH = 7.4): 1.2384484
• Log P: 2.7842507
• Molar Refractivity: 121.6313 cm^3
• Polarizability: 39.117767 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.77
• LOG S: -2.39
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 3