3-{3-[4-(methanesulfonyl)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-{3-[4-(methanesulfonyl)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-{3-[4-(methanesulfonyl)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | V019-2833 |
| Compound Name: | 3-{3-[4-(methanesulfonyl)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 480.46 |
| Molecular Formula: | C21 H19 F3 N4 O4 S |
| Smiles: | CS(c1ccc(cc1)C1NN=C(CCC(NCc2cccc(c2)C(F)(F)F)=O)C(N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5323 |
| logD: | 1.5323 |
| logSw: | -2.4797 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.529 |
| InChI Key: | LLECFEGJYFJMIC-UHFFFAOYSA-N |