N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D051-0090 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C20 H19 N O5 S2 |
| Smiles: | Cc1ccsc1CN(C1CCS(C1)(=O)=O)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1739 |
| logD: | 2.1739 |
| logSw: | -2.6307 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.8 |
| InChI Key: | LGGVSTMPGFGOHS-OAHLLOKOSA-N |