 Home > Encyclopedia > ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

CAS No:
308096-48-2
Formula:
C26H21F3N2O4S
Chemical Name:
ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonyms:
ZINC1751329;AKOS002185280;308096-48-2;Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;ETHYL 2-[((2E)-2-CYANO-3-{5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FURYL}-2-PROPENOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE

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ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

Molecular Weight：

514.5 g/mol

Exact Mass：

514.11741282 g/mol

Characteristics

PSA：

121 Å²

Safety Information

GHS Classification：

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:514.5
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:514.11741282
Monoisotopic Mass:514.11741282
Topological Polar Surface Area:121
Heavy Atom Count:36
Complexity:901
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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