N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | D579-0646 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | COc1ccc(cc1)C1C=NN(CC(Nc2ccc3c(c2)OCO3)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4349 |
| logD: | 2.4335 |
| logSw: | -3.0379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.87 |
| InChI Key: | LCIPDHIBKOFRKD-UHFFFAOYSA-N |