ethyl 4-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
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ethyl 4-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
structure -
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CAS No:
332931-97-2
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Formula:
C22H23N3O4S2
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Chemical Name:
ethyl 4-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
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Synonyms:
CBKinase1_002530;CBKinase1_014930;Oprea1_090802;Oprea1_136113;ZINC1829081;STK804361;AKOS000571521;MCULE-3506193492;BRD-K70889689-001-01-2;332931-97-2;ethyl 4-({[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
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CAS No:
ethyl 4-[[2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Basic Attributes
457.6 g/mol
457.11299857 g/mol
Computed Properties
Molecular Weight:457.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:457.11299857
Monoisotopic Mass:457.11299857
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:738
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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