N~1~-(4-bromophenyl)-N~2~-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide
Chemical Structure Depiction of
N~1~-(4-bromophenyl)-N~2~-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide
N~1~-(4-bromophenyl)-N~2~-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide
Compound characteristics
| Compound ID: | 8004-3087 |
| Compound Name: | N~1~-(4-bromophenyl)-N~2~-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}ethanediamide |
| Molecular Weight: | 504.34 |
| Molecular Formula: | C21 H22 Br N5 O5 |
| Smiles: | C(CN1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)NC(C(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8393 |
| logD: | 0.6336 |
| logSw: | -2.4725 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.676 |
| InChI Key: | IKYSQFWTWDLGIZ-UHFFFAOYSA-N |