N-(3-chloro-4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
N-(3-chloro-4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D731-0750 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 319.72 |
| Molecular Formula: | C16 H11 Cl F N O3 |
| Smiles: | C1C(C(Nc2ccc(c(c2)[Cl])F)=O)OC(c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5178 |
| logD: | 3.4804 |
| logSw: | -3.9503 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.154 |
| InChI Key: | QJRPKUWIBBTDRG-AWEZNQCLSA-N |