dimethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C163-0276 |
| Compound Name: | dimethyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C18 H22 N4 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(CCCn2c(C)c(c(C)n2)[N+]([O-])=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.1883 |
| logD: | -1.4309 |
| logSw: | -1.848 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.57 |
| InChI Key: | GIDGOKQSPQSARI-UHFFFAOYSA-N |