2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4938 |
| Compound Name: | 2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(2-thienylmethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 462.51 |
| Molecular Formula: | C21 H14 N6 O3 S2 |
| Smiles: | C(c1cccs1)c1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.62 |
| logD: | 3.33 |
| logSw: | -5.43 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 221.06 |
| InChI Key: | XQQDQYYHKJWJBL-UHFFFAOYSA-N |