4-(2-phenylethyl)-5-piperazin-1-yl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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![4-(2-phenylethyl)-5-piperazin-1-yl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fb6851d40fa04340920fdb916eaab41a.png "4-(2-phenylethyl)-5-piperazin-1-yl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one")
4-(2-phenylethyl)-5-piperazin-1-yl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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CAS No:
896847-71-5
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Formula:
C23H28N4OS
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Chemical Name:
4-(2-phenylethyl)-5-piperazin-1-yl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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Synonyms:
MLS000758891;CHEMBL1480420;HMS2801D08;ZINC2236331;STK579647;AKOS005503997;MCULE-3928514140;SMR000440119;3-(2-phenylethyl)-2-(piperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;3-Phenethyl-2-piperazin-1-yl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one;896847-71-5
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CAS No:
4-(2-phenylethyl)-5-piperazin-1-yl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes
408.6 g/mol
408.19838270 g/mol
Computed Properties
Molecular Weight:408.6
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:408.19838270
Monoisotopic Mass:408.19838270
Topological Polar Surface Area:76.2
Heavy Atom Count:29
Complexity:614
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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