N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | C370-3781 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C22 H22 Cl N5 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2cc(c(cc2OC)OC)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.68 |
| logD: | 3.84 |
| logSw: | -6.51 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.66 |
| InChI Key: | DDMFTDQKZADVMP-UHFFFAOYSA-N |