2-(2-chlorophenyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![2-(2-chlorophenyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/62ccfa8a9fe94ce385f8f6fa5c094ce4.png "2-(2-chlorophenyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
2-(2-chlorophenyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
structure -
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CAS No:
404901-72-0
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Formula:
C26H22ClN5OS
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Chemical Name:
2-(2-chlorophenyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
2-(2-chlorophenyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
2-(2-chlorophenyl)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
488.00378
487.123
Computed Properties
Molecular Weight:488.0
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:487.1233592
Monoisotopic Mass:487.1233592
Topological Polar Surface Area:99.1
Heavy Atom Count:34
Complexity:924
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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