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

• ChemBase ID: 755281
• Molecular Formular: C19H18N8O
• Molecular Mass: 374.39922
• Monoisotopic Mass: 374.16035724
• SMILES: c1(nc(Cn2nc(nn2)c2ccccc2)on1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)Cn1nnc(n1)c1ccccc1)CCNC2
• InChI: InChI=1S/C19H18N8O/c1-12-17(15-7-8-20-9-14(15)10-21-12)19-22-16(28-25-19)11-27-24-18(23-26-27)13-5-3-2-4-6-13/h2-6,10,20H,7-9,11H2,1H3
• InChIKey: PIZZSNPFUWXZMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.3224041
• LogD (pH = 7.4): 1.2378093
• Log P: 2.7840257
• Molar Refractivity: 137.5952 cm^3
• Polarizability: 39.515816 Å^3
• Polar Surface Area: 107.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 1.15
• LOG S: -1.9
• Polar Surface Area: 107.44 Å^2
• Rotatable Bonds: 4