N,N-dimethyl-4-{[2-(2-methyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]methyl}benzene-1-sulfonamide

• ChemBase ID: 772292
• Molecular Formular: C16H18N4O3S
• Molecular Mass: 346.40412
• Monoisotopic Mass: 346.10996146
• SMILES: S(=O)(=O)(c1ccc(Cn2c(c3nc(oc3)C)ncc2)cc1)N(C)C
• Canonical SMILES: Cc1occ(n1)c1nccn1Cc1ccc(cc1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C16H18N4O3S/c1-12-18-15(11-23-12)16-17-8-9-20(16)10-13-4-6-14(7-5-13)24(21,22)19(2)3/h4-9,11H,10H2,1-3H3
• InChIKey: LNOAPCQNGNQPTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-{[2-(2-methyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]methyl}benzene-1-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-4-{[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl}benzenesulfonamide
• Synonyms: N,N-dimethyl-4-{[2-(2-methyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]methyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.25233
• LogD (pH = 7.4): 1.3307664
• Log P: 1.3318846
• Molar Refractivity: 100.3531 cm^3
• Polarizability: 35.50384 Å^3
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.01
• LOG S: -1.72
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 4