N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-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: | G768-1083 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 504.57 |
| Molecular Formula: | C25 H24 N6 O4 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)C(Nc3ccc4c(c3)OCO4)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.7373 |
| logD: | 2.6527 |
| logSw: | -3.3807 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.396 |
| InChI Key: | YJBONOCTCQOPLI-UHFFFAOYSA-N |