methyl 3-(2-chloro-4-nitrobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate
Chemical Structure Depiction of
methyl 3-(2-chloro-4-nitrobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate
methyl 3-(2-chloro-4-nitrobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate
Compound characteristics
| Compound ID: | F019-2056 |
| Compound Name: | methyl 3-(2-chloro-4-nitrobenzamido)-4-(4-ethylpiperazin-1-yl)benzoate |
| Molecular Weight: | 446.89 |
| Molecular Formula: | C21 H23 Cl N4 O5 |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0057 |
| logD: | 4.0057 |
| logSw: | -4.6549 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.876 |
| InChI Key: | XMJILVLNFVAKOE-UHFFFAOYSA-N |