3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isopropyl-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~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5286 |
| Compound Name: | 3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 442.88 |
| Molecular Formula: | C19 H15 Cl N6 O3 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cccn2c2ccc(c(c2)[N+]([O-])=O)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.69 |
| logD: | 2.87 |
| logSw: | -5.36 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 215.17 |
| InChI Key: | DZQPEPOXPKVGOX-UHFFFAOYSA-N |