10-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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![10-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f70f9c742cca42ffa25e4a45a2cd182d.png "10-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one")
10-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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CAS No:
556021-13-7
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Formula:
C21H21F3N4O3S2
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Chemical Name:
10-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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Synonyms:
ZINC25266538;AKOS034354112;MCULE-5371729411;Z44547171;10-({4-[2-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}methyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one;556021-13-7
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CAS No:
10-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one Basic Attributes
498.5 g/mol
498.10071738 g/mol
Computed Properties
Molecular Weight:498.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:498.10071738
Monoisotopic Mass:498.10071738
Topological Polar Surface Area:119
Heavy Atom Count:33
Complexity:899
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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