N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0270 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C21 H19 N5 O5 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.32 |
| logD: | 3.37 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.26 |
| InChI Key: | LYWKMUONYFYZGI-UHFFFAOYSA-N |