2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | 3797-0316 |
| Compound Name: | 2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.88 |
| logD: | 4.93 |
| logSw: | -6.79 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.6 |
| InChI Key: | CITKYUIHVVHNMN-UHFFFAOYSA-N |