ethyl 4-(2-anilino-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-anilino-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl)piperazine-1-carboxylate
ethyl 4-(2-anilino-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K284-7829 |
| Compound Name: | ethyl 4-(2-anilino-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1)=N3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3697 |
| logD: | 2.3649 |
| logSw: | -3.2696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.295 |
| InChI Key: | OTZRPFVMHOKTHZ-UHFFFAOYSA-N |