N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0274 |
| Compound Name: | N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C17 H21 N5 O3 S |
| Smiles: | CCc1c(C#N)c(NC(CCCn2c(C)c(c(C)n2)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.0903 |
| logD: | 0.296 |
| logSw: | -2.4821 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.278 |
| InChI Key: | HQKPOGYQDWXZMV-UHFFFAOYSA-N |