3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-4698 |
| Compound Name: | 3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 505.98 |
| Molecular Formula: | C25 H20 Cl N5 O3 S |
| Smiles: | Cc1ccccc1OCc1nnc(NC(C(=C/c2cccn2c2ccc(c(c2)[Cl])OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7 |
| logD: | 3.58 |
| logSw: | -6.6 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.98 |
| InChI Key: | ZXOUVCWBMNRCSN-UHFFFAOYSA-N |