N-{[4-(diethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-{[4-(diethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-{[4-(diethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1086 |
| Compound Name: | N-{[4-(diethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C26 H30 N2 O5 S |
| Smiles: | CCN(CC)c1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3cc(C)ccc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3064 |
| logD: | 3.0018 |
| logSw: | -3.7323 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.414 |
| InChI Key: | PHIKQQLAJVKJIP-OAQYLSRUSA-N |