methyl 4-{2-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
methyl 4-{2-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | K940-4002 |
| Compound Name: | methyl 4-{2-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)piperazin-1-yl]acetamido}benzoate |
| Molecular Weight: | 481.95 |
| Molecular Formula: | C21 H24 Cl N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1CCN(CC1)S(c1cc(ccc1OC)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1219 |
| logD: | 3.1218 |
| logSw: | -3.6414 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.443 |
| InChI Key: | SZNXYPSSADIZPV-UHFFFAOYSA-N |