1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0796 |
| Compound Name: | 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C27 H36 N6 O |
| Smiles: | CCn1c(C)c(CN2CCCN(Cc3ccncc3)C(CC(NCC2)=O)c2ccccc2)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.571 |
| logD: | -2.3555 |
| logSw: | -1.6775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.807 |
| InChI Key: | DQLXEBAYVLJGBV-SANMLTNESA-N |