6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/95681008bce34ca497b0e6da344aa5da.png "6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
structure -
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CAS No:
445457-65-8
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Formula:
C28H21N5OS
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Chemical Name:
6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC13811557;AKOS032394267;(E)-6-((2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl)methylene)-5-imino-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
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CAS No:
6-{[2,5-dimethyl-1-(1-naphthyl)-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
475.56424
475.147
Computed Properties
Molecular Weight:475.6
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:475.14668148
Monoisotopic Mass:475.14668148
Topological Polar Surface Area:99.1
Heavy Atom Count:35
Complexity:966
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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