2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5525 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C23 H22 N6 O3 S |
| Smiles: | Cc1ccc(cc1n1cccc1/C=C(/C#N)C(Nc1nnc(C2CCCCC2)s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9 |
| logD: | 4.08 |
| logSw: | -6.95 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.15 |
| InChI Key: | BDLRJVCUKWLHMB-UHFFFAOYSA-N |