ethyl 3'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 3'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 3'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 2490-0640 |
| Compound Name: | ethyl 3'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 553.08 |
| Molecular Formula: | C31 H25 Cl N4 O2 S |
| Smiles: | CCOC(C1=NN(c2cccc(c2)[Cl])C2(c3ccccc3C(c3ccc(C)cc3)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1441 |
| logD: | 8.1301 |
| logSw: | -6.2766 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.033 |
| InChI Key: | WQLPHJATCSUUIA-WJOKGBTCSA-N |