ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methylsulfanyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methylsulfanyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methylsulfanyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-3227 |
| Compound Name: | ethyl 4-{6-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(methylsulfanyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C23 H19 N3 O5 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(Cc3ccc4c(c3)OCO4)C(=N2)SC)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9303 |
| logD: | 4.9303 |
| logSw: | -4.6305 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 65.707 |
| InChI Key: | LCYQPGHBHVWZNB-UHFFFAOYSA-N |