N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5473 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 486.51 |
| Molecular Formula: | C24 H18 N6 O4 S |
| Smiles: | COc1cc(ccc1n1cccc1/C=C(/C#N)C(Nc1nnc(Cc2ccccc2)s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.15 |
| logD: | 3.93 |
| logSw: | -6.11 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 226.91 |
| InChI Key: | WZECTWOZCMGZKA-UHFFFAOYSA-N |