4-(azepan-1-yl)-3-nitro-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-3-nitro-N-(2-phenylethyl)benzamide
4-(azepan-1-yl)-3-nitro-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | K781-6473 |
| Compound Name: | 4-(azepan-1-yl)-3-nitro-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C21 H25 N3 O3 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1[N+]([O-])=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8976 |
| logD: | 3.8976 |
| logSw: | -4.0653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.056 |
| InChI Key: | QFLPGNXVSIQMII-UHFFFAOYSA-N |