3-[3-chloro-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[3-chloro-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[3-chloro-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1323 |
| Compound Name: | 3-[3-chloro-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCCOc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.86 |
| logD: | 2.51 |
| logSw: | -5.65 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 208.48 |
| InChI Key: | CCLCJJPYWDBWKZ-UHFFFAOYSA-N |