N-(3-methylphenyl)-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide
-
![N-(3-methylphenyl)-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4c3cb1b436204149b4b8773d305ed9da.png "N-(3-methylphenyl)-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide")
N-(3-methylphenyl)-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide
structure -
-
CAS No:
849913-86-6
-
Formula:
C21H19N7OS2
-
Chemical Name:
N-(3-methylphenyl)-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide
-
Synonyms:
ZINC02194226;STK582294;AKOS005506052;MCULE-1837015456;849913-86-6;N-(3-methylphenyl)-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)acetamide
-
CAS No:
N-(3-methylphenyl)-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide Basic Attributes
449.6 g/mol
449.10925060 g/mol
Computed Properties
Molecular Weight:449.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:449.10925060
Monoisotopic Mass:449.10925060
Topological Polar Surface Area:144
Heavy Atom Count:31
Complexity:686
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation