4-butoxy-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide

Base Information

• Chemical Name: 4-butoxy-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
• CAS No.: 590397-26-5
• Molecular Formula: C28H29N3O3S
• Molecular Weight: 487.61316
• DSSTox Substance ID: DTXSID70369070
• Wikidata: Q82156076
• Mol file: 590397-26-5.mol

Synonyms:590397-26-5;4-butoxy-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide;4-Butoxy-N-((3-(5,6-dimethylbenzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)benzamide;DTXSID70369070;STL378472;AKOS002341892

Chemical Property of 4-butoxy-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide

Chemical Property:

• PSA: 119.01000
• LogP: 7.52100
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 487.19296297
• Heavy Atom Count: 35
• Complexity: 714

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=C(O3)C=C(C(=C4)C)C

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