(4-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
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(4-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
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CAS No:
502750-67-6
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Formula:
C21H22N2O4S
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Chemical Name:
(4-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
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Synonyms:
Oprea1_172196;ZINC3260005;AKOS033639785;MCULE-4181946005;(4-cyanophenyl)methyl 4-(azepane-1-sulfonyl)benzoate;Z18736259;502750-67-6
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CAS No:
(4-cyanophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Basic Attributes
398.5 g/mol
398.13002836 g/mol
Computed Properties
Molecular Weight:398.5
XLogP3:3.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:398.13002836
Monoisotopic Mass:398.13002836
Topological Polar Surface Area:95.8
Heavy Atom Count:28
Complexity:654
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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