N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | C370-5458 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-chloro-3-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide |
| Molecular Weight: | 490.93 |
| Molecular Formula: | C23 H15 Cl N6 O3 S |
| Smiles: | C(c1ccccc1)c1nnc(NC(C(=C/c2cccn2c2ccc(c(c2)[N+]([O-])=O)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.33 |
| logD: | 4.11 |
| logSw: | -6.27 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 213.1 |
| InChI Key: | CAIHZZBIJPHLJN-UHFFFAOYSA-N |