1-[4-(2,5-dimethylphenyl)-3'-(4-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-(2,5-dimethylphenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[4-(2,5-dimethylphenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-4534 |
| Compound Name: | 1-[4-(2,5-dimethylphenyl)-3'-(4-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: | CC(C1=NN(c2ccc(cc2)[N+]([O-])=O)C2(c3ccccc3C(c3cc(C)ccc3C)=NN2c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.305 |
| logD: | 7.2974 |
| logSw: | -5.6777 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.488 |
| InChI Key: | CISJKYBSEAYNPJ-WJOKGBTCSA-N |