AC1LR16E
ethyl 2-[(4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)sulfanyl]acetate
Also Known As: Oprea1_662834|ethyl 2-((2,2,5-trimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)acetate|ethyl [(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate
| Molecular Formula | C19H21N3O3S2 |
|---|---|
| Molecular Weight | 403.10245 g/mol |
| LogP | 4.05442 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.10245 |
| Monoisotopic Mass | 403.10245 |
| Heavy Atoms | 27 |
| Complexity | 1045.7734 |
Chemical Identifiers
| CAS Number | 672270-71-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)C |
Product Overview
AC1LR16E (CAS 672270-71-2), with molecular formula C19H21N3O3S2 and molecular weight 403.10245 g/mol. IUPAC: ethyl 2-[(4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)sulfanyl]acetate.
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