ethyl 4-(2,5-dimethylphenyl)-3'-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-3'-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 4-(2,5-dimethylphenyl)-3'-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8008-8628 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-3'-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C33 H30 N4 O2 S |
| Smiles: | CCOC(C1=NN(c2ccc(C)cc2)C2(c3ccccc3C(c3cc(C)ccc3C)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.4041 |
| logD: | 8.4019 |
| logSw: | -5.7214 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.033 |
| InChI Key: | CFEUPBDKDNMICV-MGBGTMOVSA-N |