N-benzyl-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-benzyl-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
Compound ID: | S733-0895 |
Compound Name: | N-benzyl-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-oxo-1,5-diazacycloundecane-8-carboxamide |
Molecular Weight: | 489.62 |
Molecular Formula: | C28 H35 N5 O3 |
Smiles: | COc1ccccc1c1c(CN2CCCC(CCNC(CC2)=O)C(NCc2ccccc2)=O)c[nH]n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.6321 |
logD: | 0.0898 |
logSw: | -2.4596 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 85.559 |
InChI Key: | DGIHQDKYSCYNQI-QFIPXVFZSA-N |