N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Compound characteristics
| Compound ID: | V022-5160 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C27 H34 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(C)COc1ccc(cc1)C1NN=C(CCC(N(C)CCc2ccc(c(c2)OC)OC)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2132 |
| logD: | 2.2719 |
| logSw: | -3.5159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.941 |
| InChI Key: | KCBMIXZPERWWBD-UHFFFAOYSA-N |