N~1~-(5-benzyl-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-benzyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
			N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyanoacrylamide
Compound characteristics
| Compound ID: | C370-5456 | 
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-chloro-4-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(cc2[Cl])[N+]([O-])=O)\C#N)=O)s1 | 
| Stereo: | ACHIRAL | 
| logP: | 5.51 | 
| logD: | 4.29 | 
| logSw: | -6.4 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 214.55 | 
| InChI Key: | WPHSKUIEPGGKDZ-UHFFFAOYSA-N | 
 
				 
				