2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide
Compound characteristics
| Compound ID: | C355-0665 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(3-phenoxypropoxy)phenyl]acrylamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(cc2)OCCCOc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 2.05 |
| logSw: | -5.08 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 210.28 |
| InChI Key: | ZLFIRJPXURHRFN-UHFFFAOYSA-N |