N-[2-(2-methoxyphenyl)ethyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Chemical Structure Depiction of
N-[2-(2-methoxyphenyl)ethyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
N-[2-(2-methoxyphenyl)ethyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Compound characteristics
| Compound ID: | V022-0562 |
| Compound Name: | N-[2-(2-methoxyphenyl)ethyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccccc1CCNC(CCC1C(N=C(c2ccc(cc2)C(F)(F)F)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.85 |
| logD: | 2.85 |
| logSw: | -3.4102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.252 |
| InChI Key: | SHPHQOKITJGEEE-UHFFFAOYSA-N |