ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-3150 |
| Compound Name: | ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C20 H20 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5856 |
| logD: | -1.0627 |
| logSw: | -3.986 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.681 |
| InChI Key: | OIJHCUIAVSNNIF-UHFFFAOYSA-N |