2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{2-methyl-1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{2-methyl-1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{2-methyl-1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide
Compound characteristics
| Compound ID: | 4011-0514 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-{2-methyl-1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}acrylamide |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C30 H31 N5 O2 S |
| Smiles: | Cc1cccc(c1)OCCn1c(C)c(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.4 |
| logD: | 5.78 |
| logSw: | -7.35 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.27 |
| InChI Key: | NCCXROSMPGLXLJ-UHFFFAOYSA-N |