N-(4-bromo-2-fluorophenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-(4-bromo-2-fluorophenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2524 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 424.35 |
| Molecular Formula: | C18 H15 Br F N O S2 |
| Smiles: | C1CCc2c(C1)c1CSC(=Cc1s2)C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9765 |
| logD: | 5.974 |
| logSw: | -5.8824 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4914 |
| InChI Key: | JMGUBXNBMLLDSR-UHFFFAOYSA-N |