3-benzyl-6-(3-chlorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-benzyl-6-(3-chlorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-6-(3-chlorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019113 |
| Compound Name: | 3-benzyl-6-(3-chlorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 536.09 |
| Molecular Formula: | C26 H18 Cl N3 O2 S3 |
| Smiles: | C(c1ccccc1)N1C2=C(C(N(C(=N2)SCC(c2ccccc2)=O)c2cccc(c2)[Cl])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.0449 |
| logD: | 6.0449 |
| logSw: | -6.2159 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.813 |
| InChI Key: | KCKAETDIDGPMCS-UHFFFAOYSA-N |