4-(2,5-dimethylphenyl)-3'-(4-nitrophenyl)-2,5'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-3'-(4-nitrophenyl)-2,5'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
4-(2,5-dimethylphenyl)-3'-(4-nitrophenyl)-2,5'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
Compound characteristics
| Compound ID: | 8009-4535 |
| Compound Name: | 4-(2,5-dimethylphenyl)-3'-(4-nitrophenyl)-2,5'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole] |
| Molecular Weight: | 581.7 |
| Molecular Formula: | C35 H27 N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)C1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccc(cc1)[N+]([O-])=O)N=C(c1ccccc1)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.1396 |
| logD: | 9.1323 |
| logSw: | -5.9019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.39 |
| InChI Key: | XYVIVOCDTMZBEJ-PGUFJCEWSA-N |