3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Chemical Structure Depiction of
3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Compound characteristics
Compound ID: | 3820-6123 |
Compound Name: | 3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide |
Molecular Weight: | 384.46 |
Molecular Formula: | C19 H20 N4 O3 S |
Smiles: | Cc1cccc(c1)C(NC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=S)=O |
Stereo: | ACHIRAL |
logP: | 3.6432 |
logD: | 3.6424 |
logSw: | -3.836 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.957 |
InChI Key: | GTBALORBKZQQKY-UHFFFAOYSA-N |