AC1NA8W0
methyl 2-[(16-methyl-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-yl)sulfanyl]acetate
Also Known As: methyl [(11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate|methyl 2-((11-methyl-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetate
| Molecular Formula | C16H16N6O2S2 |
|---|---|
| Molecular Weight | 388.0776 g/mol |
| LogP | 2.3766 |
| Topological Polar Surface Area | 86.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.0776 |
| Monoisotopic Mass | 388.0776 |
| Heavy Atoms | 26 |
| Complexity | 1160.2886 |
Chemical Identifiers
| CAS Number | 848924-75-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC(=O)OC |
Product Overview
AC1NA8W0 (CAS 848924-75-4), with molecular formula C16H16N6O2S2 and molecular weight 388.0776 g/mol. IUPAC: methyl 2-[(16-methyl-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-yl)sulfanyl]acetate.
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