8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-1046 |
| Compound Name: | 8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 377.89 |
| Molecular Formula: | C17 H13 Cl F N3 S2 |
| Smiles: | CCc1nnc(c2cc3c(ccs3)n12)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.2426 |
| logD: | 5.2421 |
| logSw: | -5.88 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.3136 |
| InChI Key: | NBMMHGULHKLFTD-UHFFFAOYSA-N |