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Home > Encyclopedia > ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate

ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate

ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate structure

ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate 

structure
  • CAS No:

    488861-44-5

  • Formula:

    C20H21F2N3O3S

  • Chemical Name:

    ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate

  • Synonyms:

    C20H21F2N3O3S;ZINC2227153;STK546927;AKOS005475354;MCULE-9791128980;488861-44-5;ethyl 2-({[(3,4-difluorophenyl)carbonyl]carbamothioyl}amino)-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate

ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate Basic Attributes

421.5 g/mol

421.12716904 g/mol

Characteristics

115 Ų

Computed Properties

Molecular Weight:421.5
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:421.12716904
Monoisotopic Mass:421.12716904
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:624
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylate

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