2-(2-methylphenyl)-7-[4-(phenylmethanesulfonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(2-methylphenyl)-7-[4-(phenylmethanesulfonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(2-methylphenyl)-7-[4-(phenylmethanesulfonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F526-0037 |
| Compound Name: | 2-(2-methylphenyl)-7-[4-(phenylmethanesulfonyl)piperazin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C23 H23 N5 O3 S2 |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(=CC2=O)N2CCN(CC2)S(Cc2ccccc2)(=O)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.8162 |
| logD: | 2.8121 |
| logSw: | -3.4153 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.781 |
| InChI Key: | VRTHLUXCOASHHT-UHFFFAOYSA-N |