methyl 4-{2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
methyl 4-{2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K940-0387 |
| Compound Name: | methyl 4-{2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C20 H22 N4 O7 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7027 |
| logD: | 2.7026 |
| logSw: | -3.2311 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.195 |
| InChI Key: | QLTMIRQVDIVWKA-UHFFFAOYSA-N |