N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3525 |
| Compound Name: | N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 489.04 |
| Molecular Formula: | C21 H17 Cl N4 O2 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(NC(=N2)SCC(NCc2ccccc2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3427 |
| logD: | 4.3411 |
| logSw: | -4.5282 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.768 |
| InChI Key: | PWZVTWVJPFDFLH-UHFFFAOYSA-N |