methyl 2-[(4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
methyl 2-[(4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G768-1101 |
| Compound Name: | methyl 2-[(4-{[2-(3-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C26 H26 N6 O4 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(Nc3ccccc3C(=O)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1367 |
| logD: | 3.0513 |
| logSw: | -3.4705 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.756 |
| InChI Key: | NEMCDSPHQNQAFM-UHFFFAOYSA-N |