3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3723 |
| Compound Name: | 3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cccn2c2cc(c(cc2OC)OC)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.24 |
| logD: | 3.4 |
| logSw: | -6.15 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.21 |
| InChI Key: | XHTOLSQMYDUPIW-UHFFFAOYSA-N |