ethyl 4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
ethyl 4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-8443 |
| Compound Name: | ethyl 4-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 411.21 |
| Molecular Formula: | C15 H15 Br N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8088 |
| logD: | 2.8086 |
| logSw: | -3.1025 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.161 |
| InChI Key: | QCPJWFRQXMGAQE-UHFFFAOYSA-N |