2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-2027 |
| Compound Name: | 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C23 H24 N6 O3 S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)c(C)n1c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4 |
| logD: | 3.36 |
| logSw: | -4.21 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 170.76 |
| InChI Key: | BBDFUEZTDOISQA-UHFFFAOYSA-N |