AC1M0DOU
5-hexylsulfanyl-14,14-dimethyl-7-propylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 3-(hexylsulfanyl)-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|3-(hexylthio)-10,10-dimethyl-5-(propylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H30N4OS3 |
|---|---|
| Molecular Weight | 450.15817 g/mol |
| LogP | 6.3648 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 450.15817 |
| Monoisotopic Mass | 450.15817 |
| Heavy Atoms | 29 |
| Complexity | 995.0426 |
Chemical Identifiers
| CAS Number | 577997-43-4 |
|---|---|
| SMILES | CCCCCCSC1=NN=C2N1C(=NC3=C2C4=C(S3)COC(C4)(C)C)SCCC |
Product Overview
AC1M0DOU (CAS 577997-43-4), with molecular formula C21H30N4OS3 and molecular weight 450.15817 g/mol. IUPAC: 5-hexylsulfanyl-14,14-dimethyl-7-propylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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