N-benzyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
N-benzyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S791-0211 |
| Compound Name: | N-benzyl-8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C23 H30 N4 O4 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(NCc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2406 |
| logD: | 1.2406 |
| logSw: | -2.2368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.866 |
| InChI Key: | TXXCWPWVCYMIHW-NRFANRHFSA-N |