2-[(4-chlorophenyl)sulfanyl]-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}acetamide
Chemical Structure Depiction of
2-[(4-chlorophenyl)sulfanyl]-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}acetamide
2-[(4-chlorophenyl)sulfanyl]-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}acetamide
Compound characteristics
| Compound ID: | F527-0138 |
| Compound Name: | 2-[(4-chlorophenyl)sulfanyl]-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}acetamide |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C21 H17 Cl N4 O2 S2 |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CNC(CSc3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1297 |
| logD: | 4.1292 |
| logSw: | -4.6172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.471 |
| InChI Key: | XFTJAPNSNYEFLT-UHFFFAOYSA-N |