methyl 4-({4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate
methyl 4-({4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | F525-0371 |
| Compound Name: | methyl 4-({4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C22 H20 N6 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(N1CCN(CC1)C1=CC(N2C(=N1)SC(c1ccco1)=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2622 |
| logD: | 2.2614 |
| logSw: | -2.7693 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.398 |
| InChI Key: | QNTWPURAMNLPSX-UHFFFAOYSA-N |