methyl 4-{[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate
methyl 4-{[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate
Compound characteristics
| Compound ID: | 8017-7804 |
| Compound Name: | methyl 4-{[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C15 H16 N4 O5 |
| Smiles: | Cc1cc(nn1CC(NCc1ccc(cc1)C(=O)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1092 |
| logD: | 1.1092 |
| logSw: | -2.3729 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.658 |
| InChI Key: | SPDTYELATNFFTF-UHFFFAOYSA-N |