2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3,4-dimethylphenyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3,4-dimethylphenyl)hydrazine-1-carbothioamide
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3,4-dimethylphenyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K781-1914 |
| Compound Name: | 2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3,4-dimethylphenyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(NNC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0122 |
| logD: | 4.1134 |
| logSw: | -4.6539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.729 |
| InChI Key: | DFEKHUIKHVWPRR-UHFFFAOYSA-N |