N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | C370-3783 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C20 H17 Cl N6 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2ccc(cc2[Cl])[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.46 |
| logD: | 3.62 |
| logSw: | -6.5 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 216.96 |
| InChI Key: | OMGXKWIUBNIOBW-UHFFFAOYSA-N |