N-benzyl-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-benzyl-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0907 |
| Compound Name: | N-benzyl-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C24 H35 N5 O2 |
| Smiles: | CCn1c(C)c(CN2CCCC(CCNC(CC2)=O)C(NCc2ccccc2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5856 |
| logD: | -4.1261 |
| logSw: | -1.7629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.664 |
| InChI Key: | JCBNRJDXEMHTGN-NRFANRHFSA-N |