2-cyano-3-{1-[3-(2-methoxyphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[3-(2-methoxyphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{1-[3-(2-methoxyphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2429 |
| Compound Name: | 2-cyano-3-{1-[3-(2-methoxyphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C24 H26 N6 O4 S |
| Smiles: | COc1ccccc1OCCCn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCOCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.61 |
| logD: | 3.58 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.84 |
| InChI Key: | JBUADBRZCDXHBU-UHFFFAOYSA-N |