AC1M3RZ2
2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
Also Known As: F3394-1290|2-({10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide|2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide|2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide|N-(3-phenyl-1,2,4-thiadiazol-5-yl){10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9,11-tetraen-12-ylthio}acetamide
| Molecular Formula | C21H19N5OS3 |
|---|---|
| Molecular Weight | 453.07516 g/mol |
| LogP | 4.9917 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.07516 |
| Monoisotopic Mass | 453.07516 |
| Heavy Atoms | 30 |
| Complexity | 1218.3429 |
Chemical Identifiers
| CAS Number | 690643-64-2 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=NC(=NS4)C5=CC=CC=C5 |
Product Overview
AC1M3RZ2 (CAS 690643-64-2), with molecular formula C21H19N5OS3 and molecular weight 453.07516 g/mol. IUPAC: 2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.