1-[4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-8641 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 502.64 |
| Molecular Formula: | C31 H26 N4 O S |
| Smiles: | CC(C1=NN(c2ccccc2)C2(c3ccccc3C(c3cc(C)ccc3C)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2578 |
| logD: | 7.2501 |
| logSw: | -5.6871 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.106 |
| InChI Key: | WFVAFGZWYYEORE-WJOKGBTCSA-N |