N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide

Base Information

• Chemical Name: N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide
• CAS No.: 4733-58-8
• Molecular Formula: C22H34 O
• Molecular Weight: 520.0242
• DSSTox Substance ID: DTXSID40382019
• Wikidata: Q82173291
• Mol file: 4733-58-8.mol

Synonyms:298186-04-6;4733-58-8;Benzamide, N-[5-[[2-[(4-butyl-2-methylphenyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitro-;DTXSID40382019;N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide;N-[5-({2-[(4-Butyl-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide

Chemical Property of N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-chloro-3-nitrobenzamide

Chemical Property:

• Density: 1.44g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 519.0801742
• Heavy Atom Count: 34
• Complexity: 715

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C