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 | 
 
				 
				