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

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

CAS No:
305375-03-5
Formula:
C21H19N3O5S
Chemical Name:
ethyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonyms:
305375-03-5;(E)-ethyl 2-(2-cyano-3-(4-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;ETHYL 2-[(2E)-2-CYANO-3-(4-NITROPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE;ZINC1774092;STK949491;AKOS000540544;ethyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ST50077902;F0709-0044;ethyl 2-[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylate;ethyl 2-{[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

Molecular Weight：

425.5 g/mol

Exact Mass：

425.10454189 g/mol

Characteristics

PSA：

153 Å²

Computed Properties

Molecular Weight:425.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:425.10454189
Monoisotopic Mass:425.10454189
Topological Polar Surface Area:153
Heavy Atom Count:30
Complexity:748
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-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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