2-octanamidoethyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2-octanamidoethyl 3,5-dinitrobenzoate
2-octanamidoethyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8003-9408 |
| Compound Name: | 2-octanamidoethyl 3,5-dinitrobenzoate |
| Molecular Weight: | 381.38 |
| Molecular Formula: | C17 H23 N3 O7 |
| Smiles: | CCCCCCCC(NCCOC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9584 |
| logD: | 3.9584 |
| logSw: | -3.8014 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.362 |
| InChI Key: | VXPNNGDCEMVUSE-UHFFFAOYSA-N |