3-[3-(3,4-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[3-(3,4-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide
3-[3-(3,4-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | V022-4825 |
| Compound Name: | 3-[3-(3,4-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[2-(thiophen-2-yl)ethyl]propanamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)C1NN=C(CCC(NCCc2cccs2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1972 |
| logD: | 1.1972 |
| logSw: | -2.3181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.9 |
| InChI Key: | TYMLXGMKFJQICO-UHFFFAOYSA-N |