2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-phenylacetamide
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | F092-0749 |
| Compound Name: | 2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C20 H15 Cl N4 O3 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(C(NC(=N2)SCC(Nc2ccccc2)=O)=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5554 |
| logD: | 3.5538 |
| logSw: | -4.066 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.775 |
| InChI Key: | PRBWWODZCIDMDW-UHFFFAOYSA-N |