N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3,4-dimethoxybenzamide

Base Information

• Chemical Name: N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3,4-dimethoxybenzamide
• CAS No.: 590396-73-9
• Molecular Formula: C25H23N3O4S
• Molecular Weight: 461.53282
• DSSTox Substance ID: DTXSID90363499
• Wikidata: Q82147217
• Mol file: 590396-73-9.mol

Synonyms:590396-73-9;N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3,4-dimethoxybenzamide;DTXSID90363499;STL378366;AKOS002341570;N-((2-(2,3-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-3,4-dimethoxybenzamide

Chemical Property of N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3,4-dimethoxybenzamide

Chemical Property:

• PSA: 128.24000
• LogP: 6.05090
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 461.14092740
• Heavy Atom Count: 33
• Complexity: 695

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)C

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