ethyl [5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate
Chemical Structure Depiction of
ethyl [5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate
ethyl [5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate
Compound characteristics
| Compound ID: | 3175-0667 |
| Compound Name: | ethyl [5-(3-bromoanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate |
| Molecular Weight: | 418.21 |
| Molecular Formula: | C15 H12 Br N7 O3 |
| Smiles: | CCOC(Cc1nnc2c(Nc3cccc(c3)[Br])nc3c(non3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8985 |
| logD: | 2.8985 |
| logSw: | -3.2664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.41 |
| InChI Key: | IUFCEYYJSPINNK-UHFFFAOYSA-N |