ethyl 4-[5-(methylsulfanyl)-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-(methylsulfanyl)-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
ethyl 4-[5-(methylsulfanyl)-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0220 |
| Compound Name: | ethyl 4-[5-(methylsulfanyl)-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl]benzoate |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C21 H17 N3 O3 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(C(=N2)SC)c2ccccc2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4619 |
| logD: | 4.4619 |
| logSw: | -4.2462 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.98 |
| InChI Key: | BUDQRKHGQIRRCL-UHFFFAOYSA-N |