3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0837 |
| Compound Name: | 3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 517.42 |
| Molecular Formula: | C21 H17 Br N4 O3 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(c(c2)[Br])OCCOc2ccccc2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.39 |
| logD: | 4.72 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.74 |
| InChI Key: | MNNPGLOUUCJADL-UHFFFAOYSA-N |