ethyl 4-(4-tert-butylphenyl)-3'-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-tert-butylphenyl)-3'-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 4-(4-tert-butylphenyl)-3'-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8009-6654 |
| Compound Name: | ethyl 4-(4-tert-butylphenyl)-3'-(4-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 595.16 |
| Molecular Formula: | C34 H31 Cl N4 O2 S |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[Cl])C2(c3ccccc3C(c3ccc(cc3)C(C)(C)C)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.4656 |
| logD: | 9.4516 |
| logSw: | -6.4157 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.033 |
| InChI Key: | NIVVFTLFDSOUOI-UUWRZZSWSA-N |