methyl 2-({4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl}amino)benzoate
methyl 2-({4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | G768-1007 |
| Compound Name: | methyl 2-({4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 504.57 |
| Molecular Formula: | C25 H24 N6 O4 S |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6864 |
| logD: | 2.601 |
| logSw: | -3.438 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.756 |
| InChI Key: | OJTGPIJQDCFDMV-UHFFFAOYSA-N |