N-(naphthalen-1-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(naphthalen-1-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
N-(naphthalen-1-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8007-6960 |
| Compound Name: | N-(naphthalen-1-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | C1CN(CCN1C(Nc1cccc2ccccc12)=S)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8212 |
| logD: | 4.8212 |
| logSw: | -5.5888 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.809 |
| InChI Key: | WACPGPQEQVFMNB-UHFFFAOYSA-N |