N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Chemical Structure Depiction of
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}acrylamide
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
| Compound ID: | 4011-0802 |
| Compound Name: | N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}acrylamide |
| Molecular Weight: | 556.04 |
| Molecular Formula: | C29 H22 Cl N5 O3 S |
| Smiles: | COc1ccccc1OCCn1cc(/C=C(/C#N)C(Nc2nnc(c3ccccc3[Cl])s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.18 |
| logD: | 5.37 |
| logSw: | -7.13 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.64 |
| InChI Key: | WUUMHHUEZWDICR-UHFFFAOYSA-N |