8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Chemical Structure Depiction of
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
Compound characteristics
| Compound ID: | E513-0110 |
| Compound Name: | 8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine |
| Molecular Weight: | 349.83 |
| Molecular Formula: | C15 H9 Cl F N3 S2 |
| Smiles: | C(c1ccc(cc1[Cl])F)Sc1c2cc3c(ccs3)n2cnn1 |
| Stereo: | ACHIRAL |
| logP: | 4.4646 |
| logD: | 4.4641 |
| logSw: | -4.5296 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.9432 |
| InChI Key: | PEJLTMVUIZJYQE-UHFFFAOYSA-N |