methyl 4-({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 4-({4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl}amino)benzoate
methyl 4-({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: | G768-1026 |
| Compound Name: | methyl 4-({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(c1ccc(cc1)NC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6565 |
| logD: | 2.5719 |
| logSw: | -3.1591 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.454 |
| InChI Key: | NLSIMHHXDSOMJO-UHFFFAOYSA-N |