methyl [1-(2-chloro-5-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate
Chemical Structure Depiction of
methyl [1-(2-chloro-5-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate
methyl [1-(2-chloro-5-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate
Compound characteristics
| Compound ID: | Y020-7114 |
| Compound Name: | methyl [1-(2-chloro-5-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate |
| Molecular Weight: | 355.73 |
| Molecular Formula: | C14 H14 Cl N3 O6 |
| Smiles: | COC(CC1C(NCCN1C(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8715 |
| logD: | 0.8715 |
| logSw: | -2.9346 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.397 |
| InChI Key: | OEIILTYEFZKJMZ-NSHDSACASA-N |