4-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-N,N-dimethylaniline
Chemical Structure Depiction of
4-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-N,N-dimethylaniline
4-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-N,N-dimethylaniline
Compound characteristics
| Compound ID: | S400-0034 |
| Compound Name: | 4-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-N,N-dimethylaniline |
| Molecular Weight: | 345.27 |
| Molecular Formula: | C14 H11 N5 O6 |
| Smiles: | CN(C)c1ccc(cc1)c1c(cc(c2c1[n+]([O-])on2)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9502 |
| logD: | 2.95 |
| logSw: | -3.4978 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 110.201 |
| InChI Key: | YHDXLKPXYJFZCL-UHFFFAOYSA-N |