N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3,5-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3,5-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3,5-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Compound characteristics
| Compound ID: | V022-7626 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(3,5-dimethoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C22 H22 N4 O6 |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)C1NN=C(CCC(NCc2ccc3c(c2)OCO3)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8948 |
| logD: | 0.536 |
| logSw: | -2.4827 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.983 |
| InChI Key: | BQQLAGSYHISYGY-UHFFFAOYSA-N |