1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(4-chlorophenyl)methyl]-1,4-dihydropyrazine-2,3-dione
Chemical Structure Depiction of
1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(4-chlorophenyl)methyl]-1,4-dihydropyrazine-2,3-dione
1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(4-chlorophenyl)methyl]-1,4-dihydropyrazine-2,3-dione
Compound characteristics
| Compound ID: | P044-0691 |
| Compound Name: | 1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(4-chlorophenyl)methyl]-1,4-dihydropyrazine-2,3-dione |
| Molecular Weight: | 438.83 |
| Molecular Formula: | C21 H15 Cl N4 O5 |
| Smiles: | C(c1ccc(cc1)[Cl])N1C=CN(Cc2nc(c3ccc4c(c3)OCO4)no2)C(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5646 |
| logD: | 2.5646 |
| logSw: | -3.3316 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.933 |
| InChI Key: | KXTMQEOOJROYLH-UHFFFAOYSA-N |