N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1527 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H27 N O5 S |
| Smiles: | CCc1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3cc(CC)ccc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9686 |
| logD: | 3.9686 |
| logSw: | -4.0873 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | PWBNGELHGRWSLF-HXUWFJFHSA-N |