5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
Compound characteristics
Compound ID: | S782-0085 |
Compound Name: | 5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one |
Molecular Weight: | 360.38 |
Molecular Formula: | C16 H23 F3 N4 O2 |
Smiles: | Cc1cc(C(F)(F)F)nn1CC(N1CCCCCCNC(CC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.7609 |
logD: | 0.7609 |
logSw: | -1.4313 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.914 |
InChI Key: | CBAQCYNKAAXKJK-UHFFFAOYSA-N |