AC1LZE40
ethyl 2-[(4,4-dimethyl-16-oxo-5,8-dithia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-14-yl)sulfanyl]acetate
Also Known As: Oprea1_428969|ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate|ethyl 2-((7,7-dimethyl-5-oxo-5,6,7,9-tetrahydro-1H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetate
| Molecular Formula | C16H18N4O3S3 |
|---|---|
| Molecular Weight | 410.0541 g/mol |
| LogP | 2.8554 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.0541 |
| Monoisotopic Mass | 410.0541 |
| Heavy Atoms | 26 |
| Complexity | 1066.2332 |
Chemical Identifiers
| CAS Number | 303013-75-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC2=NC3=C(C4=C(S3)CSC(C4)(C)C)C(=O)N21 |
Product Overview
AC1LZE40 (CAS 303013-75-4), with molecular formula C16H18N4O3S3 and molecular weight 410.0541 g/mol. IUPAC: ethyl 2-[(4,4-dimethyl-16-oxo-5,8-dithia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-14-yl)sulfanyl]acetate.
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