N-ethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carboxamide
Chemical Structure Depiction of
N-ethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carboxamide
N-ethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carboxamide
Compound characteristics
| Compound ID: | S791-0806 |
| Compound Name: | N-ethyl-5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carboxamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CCNC(N1CCCN(Cc2ccncc2)C(CC(NCC1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8948 |
| logD: | 0.8704 |
| logSw: | -1.4765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.838 |
| InChI Key: | KJABFAHSLMMONG-NRFANRHFSA-N |