1-[3'-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[3'-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[3'-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-4536 |
| Compound Name: | 1-[3'-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 537.08 |
| Molecular Formula: | C31 H25 Cl N4 O S |
| Smiles: | CC(C1=NN(c2cccc(c2)[Cl])C2(c3ccccc3C(c3cc(C)ccc3C)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.0237 |
| logD: | 8.016 |
| logSw: | -6.341 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.106 |
| InChI Key: | BQLCKNJHHNIPAJ-WJOKGBTCSA-N |