ethyl 2-({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
ethyl 2-({4-[2-(furan-2-yl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate
ethyl 2-({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: | F525-0361 |
| Compound Name: | ethyl 2-({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: | 494.53 |
| Molecular Formula: | C23 H22 N6 O5 S |
| Smiles: | CCOC(c1ccccc1NC(N1CCN(CC1)C1=CC(N2C(=N1)SC(c1ccco1)=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8357 |
| logD: | 2.8341 |
| logSw: | -3.5343 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.28 |
| InChI Key: | GMRZXKVZQMEONJ-UHFFFAOYSA-N |