ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-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]-6-[(furan-2-yl)methyl]-7-oxo-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]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-0354 |
| Compound Name: | ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 543.68 |
| Molecular Formula: | C25 H25 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: | ACHIRAL |
| logP: | 5.3664 |
| logD: | 5.3664 |
| logSw: | -5.2867 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 69.587 |
| InChI Key: | VGDARIYPLYUUAM-UHFFFAOYSA-N |