ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8009-8361 |
| Compound Name: | ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 656.45 |
| Molecular Formula: | C30 H21 Br Cl2 N2 O2 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[Br])C2(c3ccccc3C(c3ccc(cc3)[Cl])(c3ccc(cc3)[Cl])S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 10.2269 |
| logD: | 10.2269 |
| logSw: | -6.4677 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.902 |
| InChI Key: | FVIBIUPMIPDBRZ-SSEXGKCCSA-N |