ethyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate
ethyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0160 |
| Compound Name: | ethyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCOC(c1c(csc1NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6852 |
| logD: | 2.6242 |
| logSw: | -3.3133 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.417 |
| InChI Key: | RSYCYHGLFAKXMG-UHFFFAOYSA-N |