ethyl {[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
ethyl {[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | A0019063 |
| Compound Name: | ethyl {[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 504.05 |
| Molecular Formula: | C22 H18 Cl N3 O3 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1cccc(c1)[Cl])=O)SC(N2Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2339 |
| logD: | 5.2339 |
| logSw: | -5.5026 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.996 |
| InChI Key: | MIBCKFPMDLJTND-UHFFFAOYSA-N |