4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
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![4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/67b0efe2c5564a8384ceb4b65ba17549.png "4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one")
4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
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CAS No:
731780-49-7
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Formula:
C18H18BrN5O2S
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Chemical Name:
4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
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Synonyms:
ZINC03336919;ZINC3336919;AKOS033670502;MCULE-4266853936;Z19279276;4-amino-3-({2-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-6-methyl-4,5-dihydro-1,2,4-triazin-5-one;731780-49-7
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CAS No:
4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Basic Attributes
448.3 g/mol
447.03646 g/mol
Computed Properties
Molecular Weight:448.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:447.03646
Monoisotopic Mass:447.03646
Topological Polar Surface Area:118
Heavy Atom Count:27
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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