6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/273613331b964c509fe39b7a0dc6a839.png "6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
667880-87-7
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Formula:
C24H27N5OS
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Chemical Name:
6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;AO-299/41879398;ZINC8450659;STL224404;AKOS025270768;(6E)-6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(2-methylpropyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(E)-6-((1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-isobutyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
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CAS No:
6-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
433.56908
433.194
Computed Properties
Molecular Weight:433.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:433.19363168
Monoisotopic Mass:433.19363168
Topological Polar Surface Area:99.1
Heavy Atom Count:31
Complexity:847
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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