ethyl 4-(4-chlorophenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 4-(4-chlorophenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8006-5185 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 584.05 |
| Molecular Formula: | C30 H22 Cl N5 O4 S |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[N+]([O-])=O)C2(c3ccccc3C(c3ccc(cc3)[Cl])=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5968 |
| logD: | 7.595 |
| logSw: | -6.3226 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.415 |
| InChI Key: | ZKQFFQAWPPRKIC-SSEXGKCCSA-N |