N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]hexanamide
Chemical Structure Depiction of
N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]hexanamide
N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]hexanamide
Compound characteristics
| Compound ID: | Y501-5657 |
| Compound Name: | N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]hexanamide |
| Molecular Weight: | 398.91 |
| Molecular Formula: | C17 H23 Cl N4 O3 S |
| Smiles: | CCCCCC(NC(N1CCN(CC1)c1c(cccc1[Cl])[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.944 |
| logD: | 3.944 |
| logSw: | -4.1811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.113 |
| InChI Key: | MXLSOQHKWBLHAA-UHFFFAOYSA-N |