ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-3331 |
| Compound Name: | ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-oxo-6-[(oxolan-2-yl)methyl]-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 547.71 |
| Molecular Formula: | C25 H29 N3 O5 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(CC3CCCO3)C(=N2)SCC(C(C)(C)C)=O)=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5557 |
| logD: | 4.5557 |
| logSw: | -4.2747 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 70.493 |
| InChI Key: | YGPNYTKQCPPZNX-QGZVFWFLSA-N |