2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 6049-0227 |
| Compound Name: | 2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 445.29 |
| Molecular Formula: | C23 H16 Cl2 F2 N2 O |
| Smiles: | C1C/C(=C\c2c(cccc2[Cl])F)C2=C(C1)C(C(C#N)=C(N)O2)c1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3221 |
| logD: | 5.3221 |
| logSw: | -6.0513 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.699 |
| InChI Key: | AGCYINWGHUZKCZ-FQEVSTJZSA-N |