6-[2-[[4-(2,6-diethylphenyl)-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-(2,6-diethylphenyl)-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/20220811/3ebc8165e0c9415e8e15f44fb4aa3f4b.png "6-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one")
6-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
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CAS No:
721419-00-7
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Formula:
C27H25N5O3S
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Chemical Name:
6-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
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Synonyms:
ZINC3222850;AKOS033633859;MCULE-4165500248;Z18628962;6-(2-{[4-(2,6-diethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one;721419-00-7
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CAS No:
6-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Basic Attributes
499.6 g/mol
499.16781085 g/mol
Computed Properties
Molecular Weight:499.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:499.16781085
Monoisotopic Mass:499.16781085
Topological Polar Surface Area:124
Heavy Atom Count:36
Complexity:760
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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