5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,2,4-triazin-6(1H)-one
5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | G879-1499 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 386.2 |
| Molecular Formula: | C17 H12 Br N3 O3 |
| Smiles: | C(C1C(NN=C(c2ccc(cc2)[Br])N=1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.5896 |
| logD: | 3.5896 |
| logSw: | -3.7488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.424 |
| InChI Key: | XYOWNFQPTRPGCQ-UHFFFAOYSA-N |