[2-(cyclohexylamino)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
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[2-(cyclohexylamino)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
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CAS No:
479507-21-6
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Formula:
C24H27ClN2O5S
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Chemical Name:
[2-(cyclohexylamino)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
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Synonyms:
Oprea1_568939;ZINC3273393;AKOS033662893;MCULE-9793046584;Z19141817;(cyclohexylcarbamoyl)methyl 4-chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoate;479507-21-6
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CAS No:
[2-(cyclohexylamino)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Basic Attributes
491.0 g/mol
490.1329208 g/mol
Computed Properties
Molecular Weight:491.0
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:490.1329208
Monoisotopic Mass:490.1329208
Topological Polar Surface Area:101
Heavy Atom Count:33
Complexity:795
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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