N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2340 |
| Compound Name: | N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | C1CS(CC1N(Cc1ccccc1)C(C1=CC(c2ccccc2O1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0013 |
| logD: | 2.0013 |
| logSw: | -2.969 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | XZLCDKKXRPUILZ-MRXNPFEDSA-N |