N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3,4,5-trimethoxybenzamide

Base Information

• Chemical Name: N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3,4,5-trimethoxybenzamide
• CAS No.: 593238-60-9
• Molecular Formula: C27H27N3O5S
• Molecular Weight: 505.58538
• DSSTox Substance ID: DTXSID30367633
• Wikidata: Q82153601
• Mol file: 593238-60-9.mol

Synonyms:593238-60-9;N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3,4,5-trimethoxybenzamide;N-((3-(5,7-Dimethylbenzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)-3,4,5-trimethoxybenzamide;DTXSID30367633;STL355816;AKOS003210571

Chemical Property of N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3,4,5-trimethoxybenzamide

Chemical Property:

• PSA: 137.47000
• LogP: 6.36790
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 505.16714214
• Heavy Atom Count: 36
• Complexity: 758

Purity/Quality:

N-[[[3-(5,7-DIMETHYL-2-BENZOXAZOLYL)-2-METHYLPHENYL]AMINO]THIOXOMETHYL]-3,4,5-TRIMETHOXY-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)C

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