N-{[4-(diethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-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)-4-oxo-4H-1-benzopyran-2-carboxamide
N-{[4-(diethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2357 |
| Compound Name: | N-{[4-(diethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C25 H28 N2 O5 S |
| Smiles: | CCN(CC)c1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3ccccc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8118 |
| logD: | 2.5072 |
| logSw: | -3.6385 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.414 |
| InChI Key: | KAGLUGXDQRXMAI-HXUWFJFHSA-N |