AC1LTHA1
ethyl 2-[(15,15-dimethyl-16-oxa-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: A3666/0155408|ethyl [(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate|ethyl 2-((12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetate|ethyl 2-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl)sulfanyl]acetate
| Molecular Formula | C17H18N6O3S2 |
|---|---|
| Molecular Weight | 418.0882 g/mol |
| LogP | 2.4932 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.0882 |
| Monoisotopic Mass | 418.0882 |
| Heavy Atoms | 28 |
| Complexity | 1224.3572 |
Chemical Identifiers
| CAS Number | 698981-01-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)COC(C4)(C)C)C5=NC=NN52 |
Product Overview
AC1LTHA1 (CAS 698981-01-0), with molecular formula C17H18N6O3S2 and molecular weight 418.0882 g/mol. IUPAC: ethyl 2-[(15,15-dimethyl-16-oxa-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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