2-cyano-3-{1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1114 |
| Compound Name: | 2-cyano-3-{1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 565.62 |
| Molecular Formula: | C29 H26 F3 N5 O2 S |
| Smiles: | C1CCC(CC1)c1ccc(cc1)OCCn1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.62 |
| logD: | 2.66 |
| logSw: | -7.11 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.2 |
| InChI Key: | YIBCIAWVSBGLKH-UHFFFAOYSA-N |