2-cyano-N-(2-methyl-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(2-methyl-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
2-cyano-N-(2-methyl-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y505-4848 |
| Compound Name: | 2-cyano-N-(2-methyl-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 352.3 |
| Molecular Formula: | C17 H12 N4 O5 |
| Smiles: | Cc1ccc(cc1NC(C(=C\c1cccc(c1)[N+]([O-])=O)\C#N)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3504 |
| logD: | 2.8585 |
| logSw: | -3.4927 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.451 |
| InChI Key: | GVTBJDMVPTXZPF-UHFFFAOYSA-N |