1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0784 |
| Compound Name: | 1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 524.67 |
| Molecular Formula: | C31 H36 N6 O2 |
| Smiles: | COc1ccccc1c1c(CN2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6175 |
| logD: | 1.8011 |
| logSw: | -3.1655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.703 |
| InChI Key: | MLRGZTUSDVQGHB-NDEPHWFRSA-N |