3-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5318 |
| Compound Name: | 3-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C20 H18 Cl N5 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccn2c2cccc(c2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 3.67 |
| logSw: | -6.39 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.54 |
| InChI Key: | FMZMOYJEJZVFEY-UHFFFAOYSA-N |