3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Compound characteristics
| Compound ID: | C370-3761 |
| Compound Name: | 3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C20 H18 Br N5 O S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.86 |
| logD: | 4.02 |
| logSw: | -6.39 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.32 |
| InChI Key: | PBVQDFDTFGECGE-UHFFFAOYSA-N |