diethyl 5-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8012-4298 |
| Compound Name: | diethyl 5-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C22 H22 N4 O7 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5112 |
| logD: | -0.9172 |
| logSw: | -3.9417 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.435 |
| InChI Key: | XQXWRUCGIYBYFB-UHFFFAOYSA-N |