10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
-
![10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/07cef3d367574a24bec061e0dedfd122.png "10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine")
10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
structure -
-
CAS No:
585562-72-7
-
Formula:
C27H24N6S3
-
Chemical Name:
10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
-
Synonyms:
C27H24N6S3;ZINC1805296;MFCD03847788;STK558148;AKOS002210652;ST50131601;2-{[(4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine;2-{[5-((2E)-3-phenylprop-2-enylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio}-5 ,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamine;585562-72-7
-
CAS No:
10-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine Basic Attributes
528.7 g/mol
528.12245831 g/mol
Computed Properties
Molecular Weight:528.7
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:528.12245831
Monoisotopic Mass:528.12245831
Topological Polar Surface Area:161
Heavy Atom Count:36
Complexity:730
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation