4-(azepan-1-yl)-3-nitro-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-3-nitro-N-[(oxolan-2-yl)methyl]benzamide
4-(azepan-1-yl)-3-nitro-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K781-6489 |
| Compound Name: | 4-(azepan-1-yl)-3-nitro-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C18 H25 N3 O4 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1[N+]([O-])=O)C(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5147 |
| logD: | 2.5147 |
| logSw: | -2.9045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.869 |
| InChI Key: | OPSGOUQCUOFTGM-OAHLLOKOSA-N |