N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | 4272-0029 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 447.34 |
| Molecular Formula: | C20 H16 Cl2 N4 O2 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3[Cl])[Cl])o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.49 |
| logD: | 4.54 |
| logSw: | -7.05 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.88 |
| InChI Key: | GFIBBTSHVBNCKQ-UHFFFAOYSA-N |