N-propyl-4-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-sulfonyl)benzamide

• ChemBase ID: 680919
• Molecular Formular: C18H21N3O3S
• Molecular Mass: 359.44264
• Monoisotopic Mass: 359.13036255
• SMILES: S(=O)(=O)(N1Cc2c(CC1)nccc2)c1ccc(C(=O)NCCC)cc1
• Canonical SMILES: CCCNC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cccn2
• InChI: InChI=1S/C18H21N3O3S/c1-2-10-20-18(22)14-5-7-16(8-6-14)25(23,24)21-12-9-17-15(13-21)4-3-11-19-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,20,22)
• InChIKey: RUWYZSAOGOJQOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propyl-4-(5,6,7,8-tetrahydro-1,6-naphthyridine-6-sulfonyl)benzamide
• IUPAC Traditional name: 4-(7,8-dihydro-5H-1,6-naphthyridine-6-sulfonyl)-N-propylbenzamide
• Synonyms: 4-(7,8-dihydro-1,6-naphthyridin-6(5H)-ylsulfonyl)-N-propylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.986592
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5342937
• LogD (pH = 7.4): 1.5564969
• Log P: 1.5567881
• Molar Refractivity: 96.4445 cm^3
• Polarizability: 37.45997 Å^3
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.0
• LOG S: -2.23
• Polar Surface Area: 79.37 Å^2
• Rotatable Bonds: 4