N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5452 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C23 H16 N6 O3 S |
| Smiles: | C(c1ccccc1)c1nnc(NC(C(=C/c2cccn2c2cccc(c2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.92 |
| logD: | 3.7 |
| logSw: | -5.73 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.54 |
| InChI Key: | CBIXOCYCFHDWOQ-UHFFFAOYSA-N |