ethyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8008-8673 |
| Compound Name: | ethyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C31 H26 N2 O2 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(C)cc2)C2(c3ccccc3C(c3ccccc3)(c3ccccc3)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.4168 |
| logD: | 8.4168 |
| logSw: | -5.9009 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.902 |
| InChI Key: | SJGUJHBRGJSPNL-WJOKGBTCSA-N |