N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | D579-0397 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2(3H)-yl]acetamide |
| Molecular Weight: | 384.78 |
| Molecular Formula: | C18 H13 Cl N4 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C(N=C(C=N1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0472 |
| logD: | 3.0462 |
| logSw: | -3.6057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.326 |
| InChI Key: | WEDCAKGSYAYFHV-UHFFFAOYSA-N |