4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
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![4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/501aec8470e74c92a1a281ceb116f556.png "4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one")
4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
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CAS No:
896828-35-6
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Formula:
C17H11N3O2S
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Chemical Name:
4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
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Synonyms:
ZINC5370029;STK592649;AKOS005514730;AKOS032394826;MCULE-1989127977;(E)-3-(4-hydroxybenzylidene)-4-imino-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one;4-[(E)-(4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]phenolate;896828-35-6
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CAS No:
4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Basic Attributes
321.4 g/mol
321.05719778 g/mol
Computed Properties
Molecular Weight:321.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:321.05719778
Monoisotopic Mass:321.05719778
Topological Polar Surface Area:101
Heavy Atom Count:23
Complexity:727
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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