7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-9581 |
| Compound Name: | 7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one |
| Molecular Weight: | 389.23 |
| Molecular Formula: | C14 H9 Br N6 O S |
| Smiles: | CSc1nc2N=NC3=C(C=CN(C3=O)c3ccc(cc3)[Br])n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5671 |
| logD: | 3.5671 |
| logSw: | -3.6832 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.83 |
| InChI Key: | RXYRHGUARYNWAO-UHFFFAOYSA-N |