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

• ChemBase ID: 677283
• Molecular Formular: C19H18N8O
• Molecular Mass: 374.39922
• Monoisotopic Mass: 374.16035724
• SMILES: c1(nc(on1)c1ccc(c2nn(nn2)C)cc1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cn1nnc(n1)c1ccc(cc1)c1onc(n1)c1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H18N8O/c1-11-16(15-7-8-20-9-14(15)10-21-11)18-22-19(28-25-18)13-5-3-12(4-6-13)17-23-26-27(2)24-17/h3-6,10,20H,7-9H2,1-2H3
• InChIKey: SRVSBMPUMDXMLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-{5-[4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-{5-[4-(2-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl}-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-{5-[4-(2-methyl-2H-tetrazol-5-yl)phenyl]-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): -0.16322829
• LogD (pH = 7.4): 1.3970283
• Log P: 2.9431417
• Molar Refractivity: 148.7572 cm^3
• Polarizability: 40.201675 Å^3
• Polar Surface Area: 107.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 1.48
• LOG S: -2.18
• Polar Surface Area: 107.44 Å^2
• Rotatable Bonds: 3