2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3546 |
| Compound Name: | 2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 366.36 |
| Molecular Formula: | C16 H10 N6 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nncs1)=O)\c1cccn1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.89 |
| logD: | 2.04 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.45 |
| InChI Key: | BANAQAZFOJICLX-UHFFFAOYSA-N |