4-(azepan-1-yl)-N-(2,2-dimethoxyethyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-(2,2-dimethoxyethyl)-3-nitrobenzamide
4-(azepan-1-yl)-N-(2,2-dimethoxyethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-6491 |
| Compound Name: | 4-(azepan-1-yl)-N-(2,2-dimethoxyethyl)-3-nitrobenzamide |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C17 H25 N3 O5 |
| Smiles: | COC(CNC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0128 |
| logD: | 2.0127 |
| logSw: | -2.6915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.981 |
| InChI Key: | XGDVFBDAEKLGCL-UHFFFAOYSA-N |