2-[2-(4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazin-1-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazin-1-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
2-[2-(4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazin-1-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | G768-0135 |
| Compound Name: | 2-[2-(4-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazin-1-yl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C27 H24 N6 O4 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)C(CN3C(c4ccccc4C3=O)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.6568 |
| logD: | 1.6532 |
| logSw: | -2.7016 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.456 |
| InChI Key: | ATINCWAGTIUJKO-UHFFFAOYSA-N |