N~1~-(5-benzyl-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-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
| Compound ID: | 4272-0449 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}acrylamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C30 H25 N5 O3 S |
| Smiles: | COc1ccccc1OCCn1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.66 |
| logD: | 3.94 |
| logSw: | -6.36 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.57 |
| InChI Key: | SMPIWXNLKBOJIK-UHFFFAOYSA-N |