dimethyl({[3-methyl-7-(3-methylfuran-2-carbonyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}sulfamoyl)amine

• ChemBase ID: 425218
• Molecular Formular: C18H24N4O4S
• Molecular Mass: 392.47256
• Monoisotopic Mass: 392.15182627
• SMILES: S(=O)(=O)(NCc1c2c(CN(C(=O)c3c(cco3)C)CC2)cnc1C)N(C)C
• Canonical SMILES: Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C2)C(=O)c1occc1C
• InChI: InChI=1S/C18H24N4O4S/c1-12-6-8-26-17(12)18(23)22-7-5-15-14(11-22)9-19-13(2)16(15)10-20-27(24,25)21(3)4/h6,8-9,20H,5,7,10-11H2,1-4H3
• InChIKey: GOQVNEYCOZCHCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[3-methyl-7-(3-methylfuran-2-carbonyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}sulfamoyl)amine
• IUPAC Traditional name: dimethyl({[3-methyl-7-(3-methylfuran-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl}sulfamoyl)amine
• Synonyms: N,N-dimethyl-N'-{[3-methyl-7-(3-methyl-2-furoyl)-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.870173
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.21529296
• LogD (pH = 7.4): -0.04885905
• Log P: -0.04608278
• Molar Refractivity: 102.805 cm^3
• Polarizability: 39.475372 Å^3
• Polar Surface Area: 95.75 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.6
• LOG S: -4.65
• Polar Surface Area: 95.75 Å^2
• Rotatable Bonds: 3