1-[4-(4-bromophenyl)-3'-(2-chlorophenyl)-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-bromophenyl)-3'-(2-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[4-(4-bromophenyl)-3'-(2-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8006-7545 |
| Compound Name: | 1-[4-(4-bromophenyl)-3'-(2-chlorophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 587.92 |
| Molecular Formula: | C29 H20 Br Cl N4 O S |
| Smiles: | CC(C1=NN(c2ccccc2[Cl])C2(c3ccccc3C(c3ccc(cc3)[Br])=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7037 |
| logD: | 7.7008 |
| logSw: | -6.2854 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.805 |
| InChI Key: | IREIQSBDVFJTLI-GDLZYMKVSA-N |