3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0426 |
| Compound Name: | 3-[3-chloro-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 519 |
| Molecular Formula: | C22 H19 Cl N4 O5 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCCCOc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 1.88 |
| logSw: | -4.75 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 207.62 |
| InChI Key: | LIHQQOGUPQTCBV-UHFFFAOYSA-N |