1-[3'-(4-bromophenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Chemical Structure Depiction of
1-[3'-(4-bromophenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
1-[3'-(4-bromophenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-0082 |
| Compound Name: | 1-[3'-(4-bromophenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one |
| Molecular Weight: | 585.58 |
| Molecular Formula: | C31 H25 Br N2 O S2 |
| Smiles: | CC(C1=NN(c2ccc(cc2)[Br])C2(c3ccccc3C(c3ccc(C)cc3)(c3ccc(C)cc3)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.2829 |
| logD: | 9.2829 |
| logSw: | -5.8562 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.9751 |
| InChI Key: | JAZQFHSVGXXFTP-WJOKGBTCSA-N |