1-[4-methyl-3'-(3-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-methyl-3'-(3-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[4-methyl-3'-(3-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 2490-0085 |
| Compound Name: | 1-[4-methyl-3'-(3-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C25 H22 N4 O S |
| Smiles: | CC1c2ccccc2C2(N(c3ccccc3)N=1)N(c1cccc(C)c1)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7677 |
| logD: | 5.7674 |
| logSw: | -5.5448 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.551 |
| InChI Key: | DNGZRQVACJLMBH-RUZDIDTESA-N |