1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-7668 |
| Compound Name: | 1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 520.72 |
| Molecular Formula: | C32 H28 N2 O S2 |
| Smiles: | CC(C1=NN(c2ccccc2C)C2(c3ccccc3C(c3ccccc3C)(c3ccccc3C)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.7149 |
| logD: | 8.7149 |
| logSw: | -5.9064 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.6741 |
| InChI Key: | ORZFMONVWJDEIO-JGCGQSQUSA-N |