4-[({[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide
Chemical Structure Depiction of
4-[({[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide
4-[({[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide
Compound characteristics
| Compound ID: | 5742-0654 |
| Compound Name: | 4-[({[1-(4-nitrophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)methyl]-N-phenylpiperidine-1-carbothioamide |
| Molecular Weight: | 506.63 |
| Molecular Formula: | C26 H30 N6 O3 S |
| Smiles: | CCCC1\C(=C/NCC2CCN(CC2)C(Nc2ccccc2)=S)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4886 |
| logD: | 4.4776 |
| logSw: | -4.2255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.729 |
| InChI Key: | KRGKHTULBUBTQY-UHFFFAOYSA-N |