Oprea1_090054
ethyl 2-[[7-(2-methylpropyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl]sulfanyl]acetate
Also Known As: Oprea1_090054|ethyl {[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate|ethyl 2-((4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetate
| Molecular Formula | C20H23N3O2S2 |
|---|---|
| Molecular Weight | 401.12317 g/mol |
| LogP | 4.5819 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.12317 |
| Monoisotopic Mass | 401.12317 |
| Heavy Atoms | 27 |
| Complexity | 1013.5383 |
Chemical Identifiers
| CAS Number | 799784-72-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=NC2=C1SC3=C2C4=C(CCC4)C(=N3)CC(C)C |
Product Overview
Oprea1_090054 (CAS 799784-72-8), with molecular formula C20H23N3O2S2 and molecular weight 401.12317 g/mol. IUPAC: ethyl 2-[[7-(2-methylpropyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl]sulfanyl]acetate.
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