ethyl N-[8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]-beta-alaninate
ethyl N-[8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S791-0225 |
| Compound Name: | ethyl N-[8-(methanesulfonyl)-5-oxo-7-phenyl-1,4,8-triazacycloundecane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C21 H32 N4 O6 S |
| Smiles: | CCOC(CCNC(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3555 |
| logD: | 0.3555 |
| logSw: | -2.2123 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.138 |
| InChI Key: | SEQVTGHZBAVTNN-SFHVURJKSA-N |