N-ethyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
N-ethyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
N-ethyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S791-0210 |
| Compound Name: | N-ethyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C18 H28 N4 O4 S |
| Smiles: | CCNC(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2396 |
| logD: | 0.2396 |
| logSw: | -2.2698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.764 |
| InChI Key: | QSKRDNVTNOZMCK-INIZCTEOSA-N |