3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2421 |
| Compound Name: | 3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C23 H23 Cl N6 O3 S |
| Smiles: | C(Cn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCOCC2)s1)=O)COc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.26 |
| logD: | 4.23 |
| logSw: | -4.67 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.07 |
| InChI Key: | IRDVRXCBWYCZLB-UHFFFAOYSA-N |