3-benzyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-benzyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018513 |
| Compound Name: | 3-benzyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C26 H19 N3 O2 S3 |
| Smiles: | C(c1ccccc1)N1C2=C(C(N(C(=N2)SCC(c2ccccc2)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2839 |
| logD: | 5.2839 |
| logSw: | -5.4685 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.813 |
| InChI Key: | GJGMDEWDQNOEGX-UHFFFAOYSA-N |