N-benzyl-2-{[3-(4-chlorophenyl)-6-methyl-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-chlorophenyl)-6-methyl-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-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F143-0296 |
| Compound Name: | N-benzyl-2-{[3-(4-chlorophenyl)-6-methyl-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: | CN1C(=NC2=C(C1=O)SC(N2c1ccc(cc1)[Cl])=S)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8065 |
| logD: | 3.8065 |
| logSw: | -4.412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.075 |
| InChI Key: | VDKAAQRKDURSHZ-UHFFFAOYSA-N |