1-{3'-(4-chlorophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one
Chemical Structure Depiction of
1-{3'-(4-chlorophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one
1-{3'-(4-chlorophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8007-0391 |
| Compound Name: | 1-{3'-(4-chlorophenyl)-2-phenyl-4-[4-(propan-2-yl)phenyl]-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one |
| Molecular Weight: | 551.11 |
| Molecular Formula: | C32 H27 Cl N4 O S |
| Smiles: | CC(C)c1ccc(cc1)C1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccc(cc1)[Cl])N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.408 |
| logD: | 8.3598 |
| logSw: | -6.53 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.106 |
| InChI Key: | ROPPXNAOCRQBKT-JGCGQSQUSA-N |