2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-(5-nitro-2-furyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-(5-nitro-2-furyl)acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-(5-nitro-2-furyl)acrylamide
Compound characteristics
| Compound ID: | C482-0404 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-(5-nitro-2-furyl)acrylamide |
| Molecular Weight: | 288.22 |
| Molecular Formula: | C12 H8 N4 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc([N+]([O-])=O)o2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.15 |
| logD: | 0.62 |
| logSw: | -3.59 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 244.06 |
| InChI Key: | IGYRRHHJHMHDHI-UHFFFAOYSA-N |