8-(benzenesulfonyl)-5-oxo-N-propyl-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
8-(benzenesulfonyl)-5-oxo-N-propyl-1,4,8-triazacycloundecane-1-carboxamide
8-(benzenesulfonyl)-5-oxo-N-propyl-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S764-1189 |
| Compound Name: | 8-(benzenesulfonyl)-5-oxo-N-propyl-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C18 H28 N4 O4 S |
| Smiles: | CCCNC(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8569 |
| logD: | 0.8569 |
| logSw: | -2.3097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.016 |
| InChI Key: | MBHUQRMGYOHVJF-UHFFFAOYSA-N |