3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | V006-4911 |
| Compound Name: | 3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 492.45 |
| Molecular Formula: | C23 H23 F3 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1NN=C(CCC(NCc2cccc(c2)C(F)(F)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2957 |
| logD: | 1.0546 |
| logSw: | -3.0046 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.757 |
| InChI Key: | BPLPQKZUMOJXCZ-UHFFFAOYSA-N |