8-(benzenesulfonyl)-N-(2-ethoxyphenyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
8-(benzenesulfonyl)-N-(2-ethoxyphenyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
8-(benzenesulfonyl)-N-(2-ethoxyphenyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S764-1192 |
| Compound Name: | 8-(benzenesulfonyl)-N-(2-ethoxyphenyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Smiles: | CCOc1ccccc1NC(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0913 |
| logD: | 2.0913 |
| logSw: | -2.8066 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.093 |
| InChI Key: | LLPCQEBFJSBTSN-UHFFFAOYSA-N |