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 |