8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E514-0424 |
| Compound Name: | 8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C20 H15 Br N4 O2 S |
| Smiles: | Cc1nnc(c2cc3c(cco3)n12)SCc1c(C)oc(c2cccc(c2)[Br])n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4893 |
| logD: | 4.4861 |
| logSw: | -4.4647 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.69 |
| InChI Key: | PXQBIKNREVPKLA-UHFFFAOYSA-N |