8-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-0891 |
| Compound Name: | 8-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 408.31 |
| Molecular Formula: | C16 H11 Br F N3 S2 |
| Smiles: | Cc1nnc(c2cc3c(ccs3)n12)SCc1ccc(cc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8035 |
| logD: | 4.803 |
| logSw: | -4.7131 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.1144 |
| InChI Key: | KSRLQEURQBOHGS-UHFFFAOYSA-N |