6,6'-[(4-chlorophenyl)methylene]bis(2-ethyl-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one)
Chemical Structure Depiction of
6,6'-[(4-chlorophenyl)methylene]bis(2-ethyl-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one)
6,6'-[(4-chlorophenyl)methylene]bis(2-ethyl-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one)
Compound characteristics
| Compound ID: | 8009-7068 |
| Compound Name: | 6,6'-[(4-chlorophenyl)methylene]bis(2-ethyl-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one) |
| Molecular Weight: | 516.98 |
| Molecular Formula: | C21 H17 Cl N6 O4 S2 |
| Smiles: | CCC1=NN2C(=NC(=C(C(C3=C(N=C4N(C3=O)N=C(CC)S4)O)c3ccc(cc3)[Cl])C2=O)O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9241 |
| logD: | -1.2679 |
| logSw: | -3.6914 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.971 |
| InChI Key: | ZYKXKTNLXASEHR-UHFFFAOYSA-N |