2-cyano-3-[1-(3,4-dichlorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3,4-dichlorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(3,4-dichlorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5322 |
| Compound Name: | 2-cyano-3-[1-(3,4-dichlorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 446.36 |
| Molecular Formula: | C20 H17 Cl2 N5 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccn2c2ccc(c(c2)[Cl])[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.21 |
| logD: | 4.37 |
| logSw: | -7.44 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.84 |
| InChI Key: | QFUQVNSGCFSYMN-UHFFFAOYSA-N |