ethyl 4,5-dimethyl-2-[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9778 |
| Compound Name: | ethyl 4,5-dimethyl-2-[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanamido]thiophene-3-carboxylate |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C16 H20 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(C(C)Cn1cc(cn1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4198 |
| logD: | -0.4037 |
| logSw: | -2.7703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.036 |
| InChI Key: | QGPUZWLBFFCKBY-VIFPVBQESA-N |