N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1183 |
| Compound Name: | N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | Cc1ccc2C(C=C(C(N(Cc3ccccc3)C3CCS(C3)(=O)=O)=O)Oc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6315 |
| logD: | 2.6315 |
| logSw: | -3.3273 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | IHUCGSCXDQLRCI-QGZVFWFLSA-N |