1-[4-(4-ethylphenyl)-3'-(2-nitrophenyl)-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-ethylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[4-(4-ethylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8007-4802 |
| Compound Name: | 1-[4-(4-ethylphenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 547.64 |
| Molecular Formula: | C31 H25 N5 O3 S |
| Smiles: | CCc1ccc(cc1)C1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccccc1[N+]([O-])=O)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2541 |
| logD: | 7.2256 |
| logSw: | -5.6866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.886 |
| InChI Key: | LYAGCMSDBQOZDY-WJOKGBTCSA-N |