9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one
9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0156 |
| Compound Name: | 9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5-{[4-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 517.59 |
| Molecular Formula: | C27 H34 F3 N5 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccc(cc1)C(F)(F)F)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7344 |
| logD: | 1.8498 |
| logSw: | -3.0419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.745 |
| InChI Key: | BATFXFJQZALQNQ-QFIPXVFZSA-N |