2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(4-bromophenyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(4-bromophenyl)hydrazine-1-carbothioamide
2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(4-bromophenyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K781-1900 |
| Compound Name: | 2-[4-(azepan-1-yl)-3-nitrobenzoyl]-N-(4-bromophenyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C20 H22 Br N5 O3 S |
| Smiles: | C1CCCN(CC1)c1ccc(cc1[N+]([O-])=O)C(NNC(Nc1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8586 |
| logD: | 3.9598 |
| logSw: | -4.7846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.729 |
| InChI Key: | APGPDMTZHFRSEI-UHFFFAOYSA-N |