3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5514 |
| Compound Name: | 3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 482.95 |
| Molecular Formula: | C22 H19 Cl N6 O3 S |
| Smiles: | C1CCC(CC1)c1nnc(NC(C(=C/c2cccn2c2ccc(cc2[Cl])[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.86 |
| logD: | 4.04 |
| logSw: | -7.04 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 216.05 |
| InChI Key: | NFQFZWNWGNRYHS-UHFFFAOYSA-N |