N-({7-[5-(methoxymethyl)furan-2-carbonyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-3-phenoxypropanamide

• ChemBase ID: 364989
• Molecular Formular: C26H29N3O5
• Molecular Mass: 463.52556
• Monoisotopic Mass: 463.21072104
• SMILES: N1(C(=O)c2oc(cc2)COC)Cc2c(c(CNC(=O)CCOc3ccccc3)c(nc2)C)CC1
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCc2c(C1)cnc(c2CNC(=O)CCOc1ccccc1)C
• InChI: InChI=1S/C26H29N3O5/c1-18-23(15-28-25(30)11-13-33-20-6-4-3-5-7-20)22-10-12-29(16-19(22)14-27-18)26(31)24-9-8-21(34-24)17-32-2/h3-9,14H,10-13,15-17H2,1-2H3,(H,28,30)
• InChIKey: LVJLSCZZMHHZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-[5-(methoxymethyl)furan-2-carbonyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-3-phenoxypropanamide
• IUPAC Traditional name: N-({7-[5-(methoxymethyl)furan-2-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl}methyl)-3-phenoxypropanamide
• Synonyms: N-({7-[5-(methoxymethyl)-2-furoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-3-phenoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.72223
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3330423
• LogD (pH = 7.4): 1.5011803
• Log P: 1.5038534
• Molar Refractivity: 127.7008 cm^3
• Polarizability: 48.521454 Å^3
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.9
• LOG S: -5.25
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 8