1-{3'-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | 8008-4723 |
| Compound Name: | 1-{3'-(4-methylphenyl)-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: | 530.69 |
| Molecular Formula: | C33 H30 N4 O S |
| Smiles: | CC(C)c1ccc(cc1)C1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccc(C)cc1)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2366 |
| logD: | 8.1885 |
| logSw: | -5.8428 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.106 |
| InChI Key: | ODNLLWPQWVBEAP-MGBGTMOVSA-N |