4-[(4-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
4-[(4-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
4-[(4-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
Compound ID: | V003-8423 |
Compound Name: | 4-[(4-methylphenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione |
Molecular Weight: | 458.44 |
Molecular Formula: | C23 H21 F3 N4 O3 |
Smiles: | Cc1ccc(CN2C(C(C(N3CCCC3)=O)=NN(C2=O)c2cccc(c2)C(F)(F)F)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.2346 |
logD: | 4.2346 |
logSw: | -4.3126 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 59.259 |
InChI Key: | GUHFWVTVDSLKHE-UHFFFAOYSA-N |