4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | 8016-7290 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]butanamide |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C16 H20 N4 O3 S |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2ccccc2SC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4861 |
| logD: | 1.486 |
| logSw: | -2.3835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.73 |
| InChI Key: | LGEJCQDNVVZDLO-UHFFFAOYSA-N |