N,N-bis(cyanomethyl)-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N,N-bis(cyanomethyl)-4,5-dimethoxy-2-nitrobenzamide
N,N-bis(cyanomethyl)-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-0200 |
| Compound Name: | N,N-bis(cyanomethyl)-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | COc1cc(C(N(CC#N)CC#N)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.1363 |
| logD: | 0.1363 |
| logSw: | -1.6921 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 100.003 |
| InChI Key: | TULORIMMAWTVHY-UHFFFAOYSA-N |