8-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-5-ethyl-2-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-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-1203 |
| Compound Name: | 8-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 436.37 |
| Molecular Formula: | C18 H15 Br F N3 S2 |
| Smiles: | CCc1nnc(c2cc3c(cc(C)s3)n12)SCc1ccc(cc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.0239 |
| logD: | 6.0234 |
| logSw: | -5.6677 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.3136 |
| InChI Key: | KXVRGTMWPZREGM-UHFFFAOYSA-N |