 Home > Encyclopedia > ethyl 2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

CAS No:
300812-75-3
Formula:
C21H19ClN2O3S
Chemical Name:
ethyl 2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonyms:
300812-75-3;(Z)-ethyl 2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;ethyl 2-[(2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ZINC6076567;STK392376;AKOS005435283;ethyl 2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;F0708-0093;ethyl 2-{[(2Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

Molecular Weight：

414.9 g/mol

Exact Mass：

414.0804913 g/mol

Characteristics

PSA：

107 Å²

Computed Properties

Molecular Weight:414.9
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:414.0804913
Monoisotopic Mass:414.0804913
Topological Polar Surface Area:107
Heavy Atom Count:28
Complexity:666
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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