2-methyl 4-propyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-methyl 4-propyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
2-methyl 4-propyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C163-0277 |
| Compound Name: | 2-methyl 4-propyl 5-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C20 H26 N4 O7 S |
| Smiles: | CCCOC(c1c(C)c(C(=O)OC)sc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0824 |
| logD: | -0.5368 |
| logSw: | -2.4821 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.444 |
| InChI Key: | OJXOXIWUKRGEKN-UHFFFAOYSA-N |