N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-0787 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C16 H17 N O5 S |
| Smiles: | [H]N(C1CCS(C1)(=O)=O)C(C1=CC(c2cc(C)c(C)cc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.721 |
| logD: | 1.721 |
| logSw: | -2.442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.633 |
| InChI Key: | VAHQVJRKTBHUNU-LLVKDONJSA-N |