2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C482-0222 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(3-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 364.32 |
| Molecular Formula: | C18 H12 N4 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 2.59 |
| logSw: | -4.98 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 238.01 |
| InChI Key: | KHKKWGRXQPEQJM-UHFFFAOYSA-N |