1-[4-(4-methylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-methylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[4-(4-methylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-8768 |
| Compound Name: | 1-[4-(4-methylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 533.61 |
| Molecular Formula: | C30 H23 N5 O3 S |
| Smiles: | CC(C1=NN(c2ccccc2[N+]([O-])=O)C2(c3ccccc3C(c3ccc(C)cc3)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7468 |
| logD: | 6.7183 |
| logSw: | -5.7302 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.886 |
| InChI Key: | RZANEAVKQLRIMM-SSEXGKCCSA-N |