N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1205 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C22 H20 F N O5 S |
| Smiles: | Cc1ccc2C(C=C(C(N(Cc3ccc(cc3)F)C3CCS(C3)(=O)=O)=O)Oc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6605 |
| logD: | 2.6605 |
| logSw: | -3.1594 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | ATJNOCCZIHRQEI-QGZVFWFLSA-N |