1-[(3-methoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(3-methoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0759 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C28 H34 N4 O2 |
| Smiles: | COc1cccc(CN2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6864 |
| logD: | 1.6949 |
| logSw: | -2.9123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.426 |
| InChI Key: | JSNJUTWCHDJLCJ-MHZLTWQESA-N |