2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(5-chloro-2-methylphenyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(5-chloro-2-methylphenyl)hydrazine-1-carbothioamide
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(5-chloro-2-methylphenyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K781-1909 |
| Compound Name: | 2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(5-chloro-2-methylphenyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C21 H24 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1NC(NNC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7231 |
| logD: | 4.3578 |
| logSw: | -4.8738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.031 |
| InChI Key: | BTOIYWNQFLJUTI-UHFFFAOYSA-N |