2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate
Chemical Structure Depiction of
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 5132-1715 |
| Compound Name: | 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H15 F N2 O3 S |
| Smiles: | C(C1C(c2ccccc2OC(c2ccc(cc2)F)=O)c2c(c3ccccc3s2)OC=1N)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0137 |
| logD: | 5.0137 |
| logSw: | -5.3202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.189 |
| InChI Key: | WDEDKKYPNGUAFP-NRFANRHFSA-N |