1-[3'-(4-bromophenyl)-4-(4-ethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[3'-(4-bromophenyl)-4-(4-ethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[3'-(4-bromophenyl)-4-(4-ethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8007-0941 |
| Compound Name: | 1-[3'-(4-bromophenyl)-4-(4-ethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 581.53 |
| Molecular Formula: | C31 H25 Br N4 O S |
| Smiles: | CCc1ccc(cc1)C1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccc(cc1)[Br])N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2396 |
| logD: | 8.1915 |
| logSw: | -5.8113 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.106 |
| InChI Key: | DQBQHUZBAUOFSC-WJOKGBTCSA-N |