N-(3-fluoro-4-methylphenyl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(3-fluoro-4-methylphenyl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1074 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C25 H25 F N6 O2 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)C(Nc3ccc(C)c(c3)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5539 |
| logD: | 3.4693 |
| logSw: | -3.8144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | PBYPMDBRZPTQRE-UHFFFAOYSA-N |