ethyl 3,3-bis(4-bromophenyl)-3'-(3-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 3,3-bis(4-bromophenyl)-3'-(3-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 3,3-bis(4-bromophenyl)-3'-(3-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8009-8364 |
| Compound Name: | ethyl 3,3-bis(4-bromophenyl)-3'-(3-chlorophenyl)-3H,3'H-spiro[[2]benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 700.9 |
| Molecular Formula: | C30 H21 Br2 Cl N2 O2 S2 |
| Smiles: | CCOC(C1=NN(c2cccc(c2)[Cl])C2(c3ccccc3C(c3ccc(cc3)[Br])(c3ccc(cc3)[Br])S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 10.5156 |
| logD: | 10.5156 |
| logSw: | -6.3286 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.902 |
| InChI Key: | PBRMFWCKWGQCAP-SSEXGKCCSA-N |