ethyl 4-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
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![ethyl 4-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/77f005d53b854c22a36cff7d8a3713e6.png "ethyl 4-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate")
ethyl 4-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
structure -
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CAS No:
4824-69-5
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Formula:
C23H23N3O4S2
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Chemical Name:
ethyl 4-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
4824-69-5;494825-82-0;ethyl 4-[2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-2-ylthio)acetylamino]benzoate;Oprea1_294775;Oprea1_294799;DTXSID40365721;ZINC2348819;SBB083674;STK543380;AKOS001057285;MCULE-8701801198;ethyl 4-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamido)benzoate;ST50131576;Z20221920;Ethyl 4-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate;ethyl 4-[({[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
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CAS No:
ethyl 4-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
469.6 g/mol
469.11299857 g/mol
DTXSID40365721
Computed Properties
Molecular Weight:469.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:469.11299857
Monoisotopic Mass:469.11299857
Topological Polar Surface Area:142
Heavy Atom Count:32
Complexity:781
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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