3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0379 |
| Compound Name: | 3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 549.42 |
| Molecular Formula: | C21 H17 Br N4 O5 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(c(c2)[Br])OCCOc2ccccc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.85 |
| logD: | 1.49 |
| logSw: | -4.61 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.88 |
| InChI Key: | NWZMMHKVKYOWNN-UHFFFAOYSA-N |