3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3553 |
| Compound Name: | 3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 400.8 |
| Molecular Formula: | C16 H9 Cl N6 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nncs1)=O)\c1cccn1c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.21 |
| logD: | 2.37 |
| logSw: | -4.08 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 220.72 |
| InChI Key: | CBHJPBKGEHITEM-UHFFFAOYSA-N |