N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0597 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C24 H36 N6 O2 |
| Smiles: | CCn1cc(CN(C)C(C2CCCN(CCC(NCC2)=O)Cc2cccnc2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2794 |
| logD: | -0.4369 |
| logSw: | -0.9249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.849 |
| InChI Key: | QRXSWSYEMJCFCW-NRFANRHFSA-N |