methyl 3'-(4-methoxyphenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
methyl 3'-(4-methoxyphenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
methyl 3'-(4-methoxyphenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8011-9546 |
| Compound Name: | methyl 3'-(4-methoxyphenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | CC1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccc(cc1)OC)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4261 |
| logD: | 5.426 |
| logSw: | -5.5269 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.442 |
| InChI Key: | KXPKIZBINNWRPL-RUZDIDTESA-N |