ethyl 3'-(3-nitrophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 3'-(3-nitrophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 3'-(3-nitrophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 2490-0181 |
| Compound Name: | ethyl 3'-(3-nitrophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C33 H29 N5 O4 S |
| Smiles: | CCOC(C1=NN(c2cccc(c2)[N+]([O-])=O)C2(c3ccccc3C(c3ccc(cc3)C(C)C)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2946 |
| logD: | 8.2806 |
| logSw: | -5.7287 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.415 |
| InChI Key: | FRNWDZQXLJBDOA-MGBGTMOVSA-N |