1-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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/c9e133a6c4444947bd00a75c37dcd123.png "1-(3-morpholin-4-ylpropyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea")
1-(3-morpholin-4-ylpropyl)-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:
745796-69-4
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Formula:
C21H30N6OS
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Chemical Name:
1-(3-morpholin-4-ylpropyl)-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:
ZINC25460866;AKOS034376438;MCULE-5882456566;SR-01000052486;SR-01000052486-1;Z45775009;3-[3-(morpholin-4-yl)propyl]-1-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)thiourea;745796-69-4
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CAS No:
1-(3-morpholin-4-ylpropyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea Basic Attributes
414.6 g/mol
414.22018078 g/mol
Computed Properties
Molecular Weight:414.6
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:414.22018078
Monoisotopic Mass:414.22018078
Topological Polar Surface Area:99.3
Heavy Atom Count:29
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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