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1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
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![1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fd13fd8f59204e93b4464f846a37471f.png "1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea")
1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
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CAS No:
454230-77-4
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Formula:
C15H19N5S
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Chemical Name:
1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
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Synonyms:
Oprea1_635828;ZINC3327600;AKOS034376432;MCULE-2451301786;SR-01000060876;SR-01000060876-1;Z45774948;3-methyl-1-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)thiourea;454230-77-4
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CAS No:
1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea Basic Attributes
301.4 g/mol
301.13611680 g/mol
Computed Properties
Molecular Weight:301.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:301.13611680
Monoisotopic Mass:301.13611680
Topological Polar Surface Area:86.9
Heavy Atom Count:21
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1-methyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
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