3-[(2,3,4-trihydroxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![3-[(2,3,4-trihydroxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0e2c06fff57a41aba8195a0fa10894f2.png "3-[(2,3,4-trihydroxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
3-[(2,3,4-trihydroxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
380495-40-9
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Formula:
C17H15N3O4S
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Chemical Name:
3-[(2,3,4-trihydroxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
Oprea1_419682;ZINC03233795;ZINC04000554;AKOS034410500;MCULE-8668291417;Z49717228;380495-40-9;4-{[(2,3,4-trihydroxyphenyl)methylidene]amino}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
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CAS No:
3-[(2,3,4-trihydroxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
357.4 g/mol
357.07832714 g/mol
Computed Properties
Molecular Weight:357.4
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:357.07832714
Monoisotopic Mass:357.07832714
Topological Polar Surface Area:134
Heavy Atom Count:25
Complexity:586
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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