3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | V027-2239 |
| Compound Name: | 3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 408.4 |
| Molecular Formula: | C18 H15 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(CC(NCc1cccc(c1)C(F)(F)F)=O)C1C(N=C(c2cccs2)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5223 |
| logD: | 2.0496 |
| logSw: | -2.8552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.798 |
| InChI Key: | HAKCAQHABLSOSP-UHFFFAOYSA-N |