2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 2-chlorobenzoate
Chemical Structure Depiction of
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 2-chlorobenzoate
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 5132-0275 |
| Compound Name: | 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 2-chlorobenzoate |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C25 H15 Cl N2 O3 S |
| Smiles: | C(C1C(c2ccccc2OC(c2ccccc2[Cl])=O)c2c(c3ccccc3s2)OC=1N)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7186 |
| logD: | 5.7186 |
| logSw: | -5.9987 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.189 |
| InChI Key: | VPPLRIOECLXDNL-NRFANRHFSA-N |