propan-2-yl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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propan-2-yl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
488734-47-0
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Formula:
C26H23N3O6S
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Chemical Name:
propan-2-yl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2339649;STL021022;AKOS002185605;ST50079747;488734-47-0;methylethyl 2-{(2E)-2-cyano-3-[5-(3-nitrophenyl)(2-furyl)]prop-2-enoylamino}-4 ,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;propan-2-yl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
propan-2-yl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
505.5 g/mol
505.13075664 g/mol
Computed Properties
Molecular Weight:505.5
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:505.13075664
Monoisotopic Mass:505.13075664
Topological Polar Surface Area:166
Heavy Atom Count:36
Complexity:924
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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