4-(azepan-1-yl)-N-(3-methylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-(3-methylphenyl)-3-nitrobenzamide
4-(azepan-1-yl)-N-(3-methylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-7056 |
| Compound Name: | 4-(azepan-1-yl)-N-(3-methylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | Cc1cccc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6581 |
| logD: | 4.6572 |
| logSw: | -4.4013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.893 |
| InChI Key: | NBAOYMFQCYWZRH-UHFFFAOYSA-N |