2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-4-chloro-5-methylphenyl ethyl ether
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2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-4-chloro-5-methylphenyl ethyl ether
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CAS No:
944775-73-9
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Formula:
C21H25ClN2O5S
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Chemical Name:
2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-4-chloro-5-methylphenyl ethyl ether
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Synonyms:
ZINC19909560;AKOS002285392;MCULE-5509002465;ST50809623;AP-263/43371057;Z1549417421;1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-chloro-2-ethoxy-4-methylbenzenesulfonyl)piperazine;1-{[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]sulfonyl}-5-chloro-2 -ethoxy-4-methylbenzene;2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-4-chloro-5-methylphenyl ethyl ether;944775-73-9
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CAS No:
2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-4-chloro-5-methylphenyl ethyl ether Basic Attributes
452.9516
452.117
Computed Properties
Molecular Weight:453.0
XLogP3:3.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:452.1172708
Monoisotopic Mass:452.1172708
Topological Polar Surface Area:76.7
Heavy Atom Count:30
Complexity:667
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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