N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | V005-6228 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C26 H30 N4 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNC(CCC2C(N=C(c3ccc(c(c3)OC)OCC=C)NN=2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5393 |
| logD: | 1.5393 |
| logSw: | -2.1659 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.017 |
| InChI Key: | XHNQSUARFYQHCE-UHFFFAOYSA-N |