ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-oxo-6-phenyl-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-phenyl-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-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-0228 |
| Compound Name: | ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 539.69 |
| Molecular Formula: | C26 H25 N3 O4 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(C(C)(C)C)=O)c2ccccc2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5157 |
| logD: | 5.5157 |
| logSw: | -5.5055 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 61.227 |
| InChI Key: | CTLUFBJPDPWZPR-UHFFFAOYSA-N |