2-benzyl-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-benzyl-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/bc11be22ea704b45808cb29593b194a3.png "2-benzyl-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-benzyl-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:
524728-10-7
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Formula:
C27H25N5OS
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Chemical Name:
2-benzyl-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:
(6Z)-2-benzyl-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;AM-900/40824096;ZINC8453481;STK002576;AKOS022081982;2-benzyl-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-benzyl-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
467.5853
467.178
Computed Properties
Molecular Weight:467.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:467.17798161
Monoisotopic Mass:467.17798161
Topological Polar Surface Area:99.1
Heavy Atom Count:34
Complexity:897
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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