4-(azepan-1-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide
4-(azepan-1-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-6472 |
| Compound Name: | 4-(azepan-1-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C21 H29 N3 O3 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1[N+]([O-])=O)C(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2681 |
| logD: | 4.2681 |
| logSw: | -4.2318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.249 |
| InChI Key: | QSPZVFMSLSSQNW-UHFFFAOYSA-N |