7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one--hydrogen chloride (1/1)
7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S791-0674 |
| Compound Name: | 7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one--hydrogen chloride (1/1) |
| Molecular Weight: | 374.91 |
| Molecular Formula: | C20 H26 N4 O |
| Salt: | HCl |
| Smiles: | C1CNCCNC(CC(c2ccccc2)N(C1)Cc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1047 |
| logD: | -1.2732 |
| logSw: | -1.1963 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.303 |
| InChI Key: | ULCJPIMGAJOLSE-IBGZPJMESA-N |