6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one
6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V004-0098 |
| Compound Name: | 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 408.42 |
| Molecular Formula: | C20 H23 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CCC1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7916 |
| logD: | 2.6103 |
| logSw: | -3.4634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.71 |
| InChI Key: | QVWZEJJSZUBBIG-UHFFFAOYSA-N |