N-(2H-1,3-benzodioxol-5-yl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F525-0096 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carboxamide |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C24 H22 N6 O4 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(=CC2=O)N2CCN(CC2)C(Nc2ccc3c(c2)OCO3)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2507 |
| logD: | 3.2419 |
| logSw: | -3.4255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.761 |
| InChI Key: | YIGNFTBFNYDQTM-UHFFFAOYSA-N |