3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
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![3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9f4b13aacc4b4926bff12957b0a66ffa.png "3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide")
3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
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CAS No:
522639-27-6
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Formula:
C21H21N5O3
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Chemical Name:
3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
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Synonyms:
ZINC3249459;AKOS001909081;MCULE-7358666724;3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide;Z27146160;3-methyl-4-nitro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide;522639-27-6
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CAS No:
3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Basic Attributes
391.4 g/mol
391.16443955 g/mol
Computed Properties
Molecular Weight:391.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:391.16443955
Monoisotopic Mass:391.16443955
Topological Polar Surface Area:106
Heavy Atom Count:29
Complexity:589
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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