1-{3'-(4-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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: | 8007-0387 |
| Compound Name: | 1-{3'-(4-nitrophenyl)-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: | 561.66 |
| Molecular Formula: | C32 H27 N5 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccc(cc1)[N+]([O-])=O)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7389 |
| logD: | 7.6908 |
| logSw: | -5.7523 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.488 |
| InChI Key: | CMPOBWCZZJJMGI-JGCGQSQUSA-N |