7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | D718-1015 |
| Compound Name: | 7-(4-bromophenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 388.24 |
| Molecular Formula: | C15 H10 Br N5 O S |
| Smiles: | CSc1nc2N=CC3=C(C=CN(C3=O)c3ccc(cc3)[Br])n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9255 |
| logD: | 2.9255 |
| logSw: | -3.2164 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.085 |
| InChI Key: | ZHOJEMFPDFVXMA-UHFFFAOYSA-N |