1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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/20220811/cfba40e248984f4b983b88509db3fc81.png "1-(3,4-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea")
1-(3,4-dimethylphenyl)-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:
485346-33-6
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Formula:
C22H25N5S
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Chemical Name:
1-(3,4-dimethylphenyl)-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_848122;MLS000388850;ZINC3350913;AKOS000960608;MCULE-2099592604;SMR000255023;Z45774976;3-(3,4-dimethylphenyl)-1-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)thiourea;485346-33-6
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CAS No:
1-(3,4-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea Basic Attributes
391.5 g/mol
391.18306699 g/mol
Computed Properties
Molecular Weight:391.5
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:391.18306699
Monoisotopic Mass:391.18306699
Topological Polar Surface Area:86.9
Heavy Atom Count:28
Complexity:521
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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