6-(4-methylpiperazine-1-carbonyl)-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
6-(4-methylpiperazine-1-carbonyl)-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
6-(4-methylpiperazine-1-carbonyl)-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
Compound ID: | V016-3293 |
Compound Name: | 6-(4-methylpiperazine-1-carbonyl)-2-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1,2,4-triazine-3,5(2H,4H)-dione |
Molecular Weight: | 473.45 |
Molecular Formula: | C23 H22 F3 N5 O3 |
Salt: | not_available |
Smiles: | CN1CCN(CC1)C(C1C(N(Cc2ccc(cc2)C(F)(F)F)C(N(c2ccccc2)N=1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8064 |
logD: | 2.7619 |
logSw: | -3.1691 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.37 |
InChI Key: | BULHUBZKMPIGPL-UHFFFAOYSA-N |