7-phenyl-1-[(pyridin-3-yl)methyl]-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
7-phenyl-1-[(pyridin-3-yl)methyl]-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
7-phenyl-1-[(pyridin-3-yl)methyl]-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0768 |
| Compound Name: | 7-phenyl-1-[(pyridin-3-yl)methyl]-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C26 H31 N5 O |
| Smiles: | C1CN(CCNC(CC(c2ccccc2)N(C1)Cc1ccncc1)=O)Cc1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3179 |
| logD: | 1.2878 |
| logSw: | -1.2168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.4 |
| InChI Key: | VPSTZHYPFAZEEC-VWLOTQADSA-N |