N-(2-methylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
N-(2-methylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | G768-1100 |
| Compound Name: | N-(2-methylphenyl)-4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C25 H26 N6 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(Nc3ccccc3C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.207 |
| logD: | 3.1224 |
| logSw: | -3.2562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.582 |
| InChI Key: | MHXSMXTWZSJXOG-UHFFFAOYSA-N |