2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid
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![2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3f15ba47ba13440ca026f56236c5af5b.png "2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid")
2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid
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CAS No:
372973-15-4
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Formula:
C14H15N3O4S2
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Chemical Name:
2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid
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Synonyms:
Oprea1_772230;ZINC2286530;STK532550;AKOS005464728;MCULE-9634493702;2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid;372973-15-4
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CAS No:
2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid Basic Attributes
353.4 g/mol
353.05039832 g/mol
Computed Properties
Molecular Weight:353.4
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:353.05039832
Monoisotopic Mass:353.05039832
Topological Polar Surface Area:167
Heavy Atom Count:23
Complexity:467
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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