N-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide

Base Information

• Chemical Name: N-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide
• CAS No.: 217438-17-0
• Molecular Formula: C18H15N3O4S2
• Molecular Weight: 401.46
• European Community (EC) Number: 803-321-1
• Nikkaji Number: J1.505.894C
• ChEMBL ID: CHEMBL4303376
• Mol file: 217438-17-0.mol

Synonyms:N-methyl-N-(2-methylphenyl)-3-nitro-4-(2-thiazolylsulfinyl)nitrobenzanilide;SB-273779

Chemical Property of N-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide

Chemical Property:

• PSA: 143.54000
• LogP: 5.19190
• Storage Temp.: 2-8°C
• Solubility.: DMSO: >5mg/mL
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 401.05039832
• Heavy Atom Count: 27
• Complexity: 585

Purity/Quality:

97% ^*data from raw suppliers

N-METHYL-N-(2-METHYLPHENYL)-3-NITRO-4-(2-THIAZOLYLSULFINYL)NITROBENZANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N(C)C(=O)C2=CC(=C(C=C2)S(=O)C3=NC=CS3)[N+](=O)[O-]
• Uses: SB 268262 is a calcitonin gene-related peptide receptor antagonist.