2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorobenzyl)-2-methyl-1H-indol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorobenzyl)-2-methyl-1H-indol-3-yl]acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorobenzyl)-2-methyl-1H-indol-3-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0337 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorobenzyl)-2-methyl-1H-indol-3-yl]acrylamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C28 H26 F N5 O S |
| Smiles: | Cc1c(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)c2ccccc2n1Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.7 |
| logD: | 5.07 |
| logSw: | -6.6 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.76 |
| InChI Key: | NDKXKMXTKCTHGN-UHFFFAOYSA-N |