1-[(3-methylphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(3-methylphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(3-methylphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0758 |
| Compound Name: | 1-[(3-methylphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C28 H34 N4 O |
| Smiles: | Cc1cccc(CN2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2776 |
| logD: | 3.0615 |
| logSw: | -3.1334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.882 |
| InChI Key: | ACUXPFQVQNGERF-UHFFFAOYSA-N |