methyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate
methyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | C226-4277 |
| Compound Name: | methyl 2-[4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate |
| Molecular Weight: | 425.24 |
| Molecular Formula: | C16 H17 Br N4 O5 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1ccccc1C(=O)OC)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.6626 |
| logD: | 1.5903 |
| logSw: | -2.5456 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.862 |
| InChI Key: | HAWOOQQTGWIDAW-UHFFFAOYSA-N |