N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-3779 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2cccc(c2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 3.03 |
| logSw: | -5.89 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.95 |
| InChI Key: | DZHNKBKFYZNFBO-UHFFFAOYSA-N |