8-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
8-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
8-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S764-1199 |
| Compound Name: | 8-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxo-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C19 H30 N4 O4 S |
| Smiles: | CC(C)CNC(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9275 |
| logD: | 0.9275 |
| logSw: | -2.3331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.175 |
| InChI Key: | PYDPQYKZSGJUMJ-UHFFFAOYSA-N |