propan-2-yl 2-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)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-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
488138-06-3
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Formula:
C26H22Cl2N2O4S
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Chemical Name:
propan-2-yl 2-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2335141;STL021018;AKOS002185518;ST50079743;488138-06-3;methylethyl 2-{(2E)-3-[5-(2,3-dichlorophenyl)(2-furyl)]-2-cyanoprop-2-enoylami no}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;propan-2-yl 2-({(2E)-2-cyano-3-[5-(2,3-dichlorophenyl)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-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
529.4 g/mol
528.0677337 g/mol
Computed Properties
Molecular Weight:529.4
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:528.0677337
Monoisotopic Mass:528.0677337
Topological Polar Surface Area:121
Heavy Atom Count:35
Complexity:875
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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