2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0297 |
| Compound Name: | 2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.87 |
| logD: | 4.92 |
| logSw: | -6.97 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.98 |
| InChI Key: | QNFZEDNPCKSDEN-UHFFFAOYSA-N |