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Home > Encyclopedia > methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure

methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate 

structure
  • CAS No:

    461662-65-7

  • Formula:

    C20H22N2O4S2

  • Chemical Name:

    methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

  • Synonyms:

    ZINC2334551;AKOS030517676;461662-65-7

methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Basic Attributes

418.5 g/mol

418.10209953 g/mol

Characteristics

141 Ų

Computed Properties

Molecular Weight:418.5
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:418.10209953
Monoisotopic Mass:418.10209953
Topological Polar Surface Area:141
Heavy Atom Count:28
Complexity:613
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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