2-(2,4-dimethylphenyl)-3-hydroxy-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yliminomethyl)isoquinolin-1-one
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![2-(2,4-dimethylphenyl)-3-hydroxy-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yliminomethyl)isoquinolin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c558425cdd7a433cb4533fac191501c3.png "2-(2,4-dimethylphenyl)-3-hydroxy-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yliminomethyl)isoquinolin-1-one")
2-(2,4-dimethylphenyl)-3-hydroxy-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yliminomethyl)isoquinolin-1-one
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CAS No:
796103-05-4
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Formula:
C28H24N4O2S
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Chemical Name:
2-(2,4-dimethylphenyl)-3-hydroxy-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yliminomethyl)isoquinolin-1-one
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Synonyms:
Z31299955;2-(2,4-dimethylphenyl)-4-[({8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-yl}amino)methylidene]-1,2,3,4-tetrahydroisoquinoline-1,3-dione;796103-05-4
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CAS No:
2-(2,4-dimethylphenyl)-3-hydroxy-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yliminomethyl)isoquinolin-1-one Basic Attributes
480.6 g/mol
480.16199719 g/mol
Computed Properties
Molecular Weight:480.6
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:480.16199719
Monoisotopic Mass:480.16199719
Topological Polar Surface Area:107
Heavy Atom Count:35
Complexity:877
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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