1-prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
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![1-prop-2-enyl-3-[2-(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/d4b840133ebf4386bb67b9851f951732.png "1-prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea")
1-prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
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CAS No:
306958-41-8
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Formula:
C17H21N5S
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Chemical Name:
1-prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
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Synonyms:
Oprea1_068216;MLS001174944;CHEMBL1433209;HMS2915O15;ZINC3212790;AKOS034452306;MCULE-4093163473;SMR000595829;Z56771469;3-(prop-2-en-1-yl)-1-(2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)thiourea;306958-41-8
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CAS No:
1-prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea Basic Attributes
327.4 g/mol
327.15176686 g/mol
Computed Properties
Molecular Weight:327.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:327.15176686
Monoisotopic Mass:327.15176686
Topological Polar Surface Area:86.9
Heavy Atom Count:23
Complexity:416
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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