N,N-bis(cyanomethyl)-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N,N-bis(cyanomethyl)-4-methoxy-3-nitrobenzamide
N,N-bis(cyanomethyl)-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-9706 |
| Compound Name: | N,N-bis(cyanomethyl)-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 274.23 |
| Molecular Formula: | C12 H10 N4 O4 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(N(CC#N)CC#N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1729 |
| logD: | -0.1729 |
| logSw: | -1.7949 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.372 |
| InChI Key: | TWMLROPXCKDJAO-UHFFFAOYSA-N |