2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3735 |
| Compound Name: | 2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cccn2c2ccc(cc2C)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.16 |
| logD: | 3.32 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.89 |
| InChI Key: | XOMOYLIBOCDUAX-UHFFFAOYSA-N |