N-[2-(methylsulfanyl)phenyl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)phenyl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[2-(methylsulfanyl)phenyl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-3811 |
| Compound Name: | N-[2-(methylsulfanyl)phenyl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | CSc1ccccc1NC(c1ccc(Cn2cc(cn2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8574 |
| logD: | 2.8572 |
| logSw: | -3.4506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.519 |
| InChI Key: | CYPDHIQGVYGFRJ-UHFFFAOYSA-N |