N-(2-fluorophenyl)-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
N-(2-fluorophenyl)-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S791-0209 |
| Compound Name: | N-(2-fluorophenyl)-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C22 H27 F N4 O4 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(Nc1ccccc1F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7893 |
| logD: | 1.7893 |
| logSw: | -2.4294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.846 |
| InChI Key: | XGVXWZMRZMHXPB-FQEVSTJZSA-N |