2-amino-4-{3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1329 |
| Compound Name: | 2-amino-4-{3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C25 H20 Cl F N2 O4 |
| Smiles: | CCOc1cc(cc(c1OCc1ccccc1F)[Cl])C1C(C#N)=C(N)Oc2cc(ccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8545 |
| logD: | 4.8542 |
| logSw: | -4.685 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.522 |
| InChI Key: | SIKFKHXUTXZCPG-QHCPKHFHSA-N |