3-{3-[(3-methoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-{3-[(3-methoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-{3-[(3-methoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | V022-7677 |
| Compound Name: | 3-{3-[(3-methoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Smiles: | COc1cccc(CC2NN=C(CCC(NCc3cccc(c3)C(F)(F)F)=O)C(N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9658 |
| logD: | 2.8071 |
| logSw: | -3.4964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.333 |
| InChI Key: | HMZFKCHGRYKNLT-UHFFFAOYSA-N |