methyl 3'-(4-bromophenyl)-3H,3'H-spiro[[1,3]benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
methyl 3'-(4-bromophenyl)-3H,3'H-spiro[[1,3]benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
methyl 3'-(4-bromophenyl)-3H,3'H-spiro[[1,3]benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8012-1061 |
| Compound Name: | methyl 3'-(4-bromophenyl)-3H,3'H-spiro[[1,3]benzothiazole-2,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 422.32 |
| Molecular Formula: | C16 H12 Br N3 O2 S2 |
| Smiles: | COC(C1=NN(c2ccc(cc2)[Br])C2(Nc3ccccc3S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9992 |
| logD: | 4.9992 |
| logSw: | -4.6338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.916 |
| InChI Key: | LRIUFWQPBOZCQM-INIZCTEOSA-N |