2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
| Compound ID: | 4011-0508 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{1-[2-(3,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}acrylamide |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C30 H31 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)OCCn1cc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.37 |
| logD: | 5.03 |
| logSw: | -7.36 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.59 |
| InChI Key: | KPDPOKSWJKXSOB-UHFFFAOYSA-N |