ethyl [4-(4-chloro-3-nitrobenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate
Chemical Structure Depiction of
ethyl [4-(4-chloro-3-nitrobenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate
ethyl [4-(4-chloro-3-nitrobenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate
Compound characteristics
| Compound ID: | 8016-3560 |
| Compound Name: | ethyl [4-(4-chloro-3-nitrobenzamido)-3,5-dimethyl-1H-pyrazol-1-yl]acetate |
| Molecular Weight: | 380.79 |
| Molecular Formula: | C16 H17 Cl N4 O5 |
| Smiles: | CCOC(Cn1c(C)c(c(C)n1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3599 |
| logD: | 1.0845 |
| logSw: | -2.9311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.727 |
| InChI Key: | OSFIAMBQVBOIAH-UHFFFAOYSA-N |