N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5440 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nnc(Cc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.44 |
| logD: | 4.22 |
| logSw: | -6.24 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.55 |
| InChI Key: | QECRRAGLWPAMNF-UHFFFAOYSA-N |