3-{1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0805 |
| Compound Name: | 3-{1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 556.04 |
| Molecular Formula: | C29 H22 Cl N5 O3 S |
| Smiles: | C(COc1ccccc1[Cl])n1cc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.09 |
| logD: | 3.45 |
| logSw: | -6.93 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.2 |
| InChI Key: | BCXXHTDJFPHRPK-UHFFFAOYSA-N |