N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(thiophen-2-yl)methyl]-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(thiophen-2-yl)methyl]-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(thiophen-2-yl)methyl]-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1867 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-N-[(thiophen-2-yl)methyl]-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C21 H21 N O5 S2 |
| Smiles: | Cc1ccc2C(C=C(C(N(Cc3cccs3)C3CCS(C3)(=O)=O)=O)Oc2c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0447 |
| logD: | 3.0447 |
| logSw: | -3.3311 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.381 |
| InChI Key: | RJGFNVCVIJMRGB-OAHLLOKOSA-N |