6-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
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![6-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d74589fad5654ceeb8a55f53caaef02f.png "6-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one")
6-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
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CAS No:
787555-56-0
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Formula:
C25H21N5O3S
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Chemical Name:
6-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
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Synonyms:
ZINC3376080;AKOS033635889;MCULE-1728310434;Z18666999;6-(2-{[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one;787555-56-0
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CAS No:
6-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Basic Attributes
471.5 g/mol
471.13651072 g/mol
Computed Properties
Molecular Weight:471.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:471.13651072
Monoisotopic Mass:471.13651072
Topological Polar Surface Area:124
Heavy Atom Count:34
Complexity:741
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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