2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-3685 |
| Compound Name: | 2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cccn2c2cc(C)ccc2OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.28 |
| logD: | 2.44 |
| logSw: | -5.09 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.18 |
| InChI Key: | DSQOIIGWKPFBAO-UHFFFAOYSA-N |