N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-ethoxy-3-methoxyphenyl)-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-(4-ethoxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
Compound characteristics
| Compound ID: | V004-4415 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]propanamide |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C23 H24 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1OC)C1NN=C(CCC(NCc2ccc3c(c2)OCO3)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7222 |
| logD: | 1.7222 |
| logSw: | -2.2701 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.736 |
| InChI Key: | GUTGIETZIVBTPW-UHFFFAOYSA-N |