2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N-[2-(4-ethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N-[2-(4-ethoxyphenyl)ethyl]acetamide
2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N-[2-(4-ethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K261-0786 |
| Compound Name: | 2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}-N-[2-(4-ethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | CCOc1ccc(CCNC(CC2(CCCC2)CC2NS(c3ccccc3N=2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5978 |
| logD: | 2.0235 |
| logSw: | -3.1413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.347 |
| InChI Key: | CYIPETGUZYRRAE-UHFFFAOYSA-N |