2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3-chloro-4-methylphenyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3-chloro-4-methylphenyl)hydrazine-1-carbothioamide
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3-chloro-4-methylphenyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K781-1912 |
| Compound Name: | 2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(3-chloro-4-methylphenyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C21 H24 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(NNC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.4149 |
| logD: | 4.5161 |
| logSw: | -5.9425 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.729 |
| InChI Key: | KDVXRGJOAWGFQP-UHFFFAOYSA-N |