ethyl 2-[[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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ethyl 2-[[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
956961-85-6
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Formula:
C25H23ClN4O3S
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Chemical Name:
ethyl 2-[[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC1825635;STK952776;AKOS002186989;ST50077929;956961-85-6;ethyl 2-[(2E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enoylam ino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;ethyl 2-{[(2E)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
ethyl 2-[[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
495.0 g/mol
494.1179395 g/mol
Computed Properties
Molecular Weight:495.0
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:494.1179395
Monoisotopic Mass:494.1179395
Topological Polar Surface Area:125
Heavy Atom Count:34
Complexity:839
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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