[4-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate
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![[4-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a6ce31da3f7e4eca9c564a1a04c2e953.png "[4-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate")
[4-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate
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CAS No:
304643-65-0
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Formula:
C23H18N4O3S
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Chemical Name:
[4-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate
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Synonyms:
Oprea1_639735;AKOS034440129;MCULE-7918013898;Z54323412;304643-65-0;4-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-4-yl}imino)methyl]phenyl pyridine-3-carboxylate
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CAS No:
[4-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate Basic Attributes
430.5 g/mol
430.10996162 g/mol
Computed Properties
Molecular Weight:430.5
XLogP3:4.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:430.10996162
Monoisotopic Mass:430.10996162
Topological Polar Surface Area:113
Heavy Atom Count:31
Complexity:736
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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