5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(2R)-oxolane-2-carbonyl]-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 489976
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(nc(on1)COCC)c1c2c(CN(C(=O)[C@@H]3OCCC3)CC2)cnc1C
• Canonical SMILES: CCOCc1onc(n1)c1c(C)ncc2c1CCN(C2)C(=O)[C@H]1CCCO1
• InChI: InChI=1S/C19H24N4O4/c1-3-25-11-16-21-18(22-27-16)17-12(2)20-9-13-10-23(7-6-14(13)17)19(24)15-5-4-8-26-15/h9,15H,3-8,10-11H2,1-2H3/t15-/m1/s1
• InChIKey: ULLIGQKPARODEO-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(2R)-oxolane-2-carbonyl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 5-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(2R)-tetrahydro-2-furanylcarbonyl]-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.905468
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0179492
• LogD (pH = 7.4): 1.041012
• Log P: 1.0413147
• Molar Refractivity: 110.0257 cm^3
• Polarizability: 38.02271 Å^3
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.11
• LOG S: -3.32
• Polar Surface Area: 90.58 Å^2
• Rotatable Bonds: 5