6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V004-0074 |
| Compound Name: | 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C25 H26 F3 N5 O2 |
| Smiles: | C(CC(N1CCN(CC1)Cc1ccccc1)=O)C1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7776 |
| logD: | 2.5951 |
| logSw: | -3.3835 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.25 |
| InChI Key: | ZRXOOAZTQGRRLK-UHFFFAOYSA-N |