ethyl 4-{2-[({1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetyl)oxy]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[({1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetyl)oxy]acetamido}benzoate
ethyl 4-{2-[({1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetyl)oxy]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-1182 |
| Compound Name: | ethyl 4-{2-[({1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetyl)oxy]acetamido}benzoate |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C26 H29 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(COC(CC1(CCCC1)CC1NS(c2ccccc2N=1)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3168 |
| logD: | 2.7424 |
| logSw: | -3.7199 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.348 |
| InChI Key: | XSRQHVUWEZYUQO-UHFFFAOYSA-N |