ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
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![ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1734c4f672d84b3f94644f61f82dcdf0.png "ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate")
ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
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CAS No:
494826-02-7
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Formula:
C21H22N4O3S2
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Chemical Name:
ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
ethyl 4-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate;ethyl 4-[2-(4-amino-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io)acetylamino]benzoate;ZINC1761447;SBB083806;STL004687;AKOS001662971;MCULE-8991695016;ST50032684;AF-399/41345830;494826-02-7;ethyl 4-({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetyl}amino)benzoate
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CAS No:
ethyl 4-[[2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
442.6 g/mol
442.11333292 g/mol
Computed Properties
Molecular Weight:442.6
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:442.11333292
Monoisotopic Mass:442.11333292
Topological Polar Surface Area:161
Heavy Atom Count:30
Complexity:617
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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