methyl 4-{2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
methyl 4-{2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K940-0166 |
| Compound Name: | methyl 4-{2-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C20 H22 Br N3 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1CCN(CC1)S(c1ccc(cc1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6762 |
| logD: | 3.6761 |
| logSw: | -3.9308 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.813 |
| InChI Key: | NIBUWNQPCXXYJE-UHFFFAOYSA-N |