3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0790 |
| Compound Name: | 3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 533.42 |
| Molecular Formula: | C21 H17 Br N4 O4 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)[Br])OCc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.41 |
| logD: | 2.06 |
| logSw: | -4.99 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.74 |
| InChI Key: | BVHSERWYKIOPHG-UHFFFAOYSA-N |