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Ethyl 4-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]-4-oxo-2-butenoate

Ethyl 4-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]-4-oxo-2-butenoate structure

CAS No:
315248-95-4
Formula:
C18H24N2O5S
Chemical Name:
Ethyl 4-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]-4-oxo-2-butenoate
Synonyms:
2-Butenoic acid,4-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]-4-oxo-,ethyl ester;Ethyl 4-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]-4-oxo-2-butenoate

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Ethyl 4-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]-4-oxo-2-butenoate Basic Attributes

Molecular Weight：

380.5 g/mol

Exact Mass：

380.46

Characteristics

PSA：

101 Å²

Computed Properties

Molecular Weight:380.5
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:380.14059304
Monoisotopic Mass:380.14059304
Topological Polar Surface Area:101
Heavy Atom Count:26
Complexity:596
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]phenyl]amino]-4-oxo-2-butenoate

Basic Attributes
Characteristics
Computed Properties
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