2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 1866-0017 |
| Compound Name: | 2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 318.73 |
| Molecular Formula: | C16 H12 Cl F N2 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2c(cccc2[Cl])F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.22 |
| logD: | 2.22 |
| logSw: | -3.0219 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.602 |
| InChI Key: | NMQCHOZUYKHYHV-ZDUSSCGKSA-N |