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

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

CAS No:
300812-76-4
Formula:
C19H16ClN3O2S
Chemical Name:
2-[[(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Synonyms:
300812-76-4;ZINC1453198;AKOS024598043;AB00672283-01;SR-01000008672;SR-01000008672-1;F0708-0094;(Z)-2-(3-(4-chlorophenyl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

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

Molecular Weight：

385.9 g/mol

Exact Mass：

385.0651756 g/mol

Characteristics

PSA：

124 Å²

XLogP3：

4.69818

Melting Point：

285 °C (benzene)

Computed Properties

Molecular Weight:385.9
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:385.0651756
Monoisotopic Mass:385.0651756
Topological Polar Surface Area:124
Heavy Atom Count:26
Complexity:636
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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