Home
>
Encyclopedia
>
1-(2,5-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
1-(2,5-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
-
![1-(2,5-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/b864a613077140fb957dad6e15184c2e.png "1-(2,5-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea")
1-(2,5-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
structure -
-
CAS No:
457085-25-5
-
Formula:
C22H25N5S
-
Chemical Name:
1-(2,5-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
-
Synonyms:
Oprea1_195532;ZINC3292550;AKOS034376436;MCULE-2571105287;Z45774988;3-(2,5-dimethylphenyl)-1-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)thiourea;457085-25-5
-
CAS No:
1-(2,5-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
Guide of 1-(2,5-dimethylphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
Request for Quotation