(6E)-6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/084989acd0b94b31b12ccc1fa86a2f92.png "(6E)-6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
structure -
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CAS No:
846066-26-0
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Formula:
C20H18ClN5OS2
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Chemical Name:
(6E)-6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9282679;STL224477;AKOS025270841;(6E)-6-{[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;846066-26-0
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CAS No:
(6E)-6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
444.0 g/mol
443.0641303 g/mol
Computed Properties
Molecular Weight:444.0
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:443.0641303
Monoisotopic Mass:443.0641303
Topological Polar Surface Area:124
Heavy Atom Count:29
Complexity:813
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- smz tmp
- ceria
- dabco
- 2 pentanol
- hydroxide anion
- formula carbon disulfide
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