4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)butanamide
Compound characteristics
| Compound ID: | C163-0048 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)butanamide |
| Molecular Weight: | 395.87 |
| Molecular Formula: | C16 H18 Cl N5 O3 S |
| Smiles: | CCc1c(C#N)c(NC(CCCn2c(C)c(c(n2)[N+]([O-])=O)[Cl])=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.5486 |
| logD: | 0.7543 |
| logSw: | -3.8691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.236 |
| InChI Key: | QWBGJPMBALGIKT-UHFFFAOYSA-N |