5-[(4-bromophenyl)methyl]-3-(4-butoxyphenyl)-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
5-[(4-bromophenyl)methyl]-3-(4-butoxyphenyl)-1,2,4-triazin-6(1H)-one
5-[(4-bromophenyl)methyl]-3-(4-butoxyphenyl)-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | G879-1553 |
| Compound Name: | 5-[(4-bromophenyl)methyl]-3-(4-butoxyphenyl)-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 414.3 |
| Molecular Formula: | C20 H20 Br N3 O2 |
| Smiles: | CCCCOc1ccc(cc1)C1N=C(Cc2ccc(cc2)[Br])C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1052 |
| logD: | 5.1052 |
| logSw: | -4.7978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.726 |
| InChI Key: | IMFUSIVSJQNODT-UHFFFAOYSA-N |