2-cyano-3-[1-(2-ethyl-6-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-ethyl-6-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2-ethyl-6-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4932 |
| Compound Name: | 2-cyano-3-[1-(2-ethyl-6-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C24 H21 N5 O S2 |
| Smiles: | CCc1cccc(C)c1n1cccc1/C=C(/C#N)C(Nc1nnc(Cc2cccs2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.93 |
| logD: | 4.65 |
| logSw: | -6.83 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.68 |
| InChI Key: | IUIPXBSZSCOPJK-UHFFFAOYSA-N |