ethyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 2490-0098 |
| Compound Name: | ethyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[N+]([O-])=O)C2(c3ccccc3C(C)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7914 |
| logD: | 5.7914 |
| logSw: | -5.5624 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.86 |
| InChI Key: | FXDNQQOMWMAKBR-RUZDIDTESA-N |