N-{[4-(dimethylamino)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-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1077 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C24 H26 N2 O5 S |
| Smiles: | Cc1ccc2c(c1)C(C=C(C(N(Cc1ccc(cc1)N(C)C)C1CCS(C1)(=O)=O)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5859 |
| logD: | 2.5705 |
| logSw: | -3.2232 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.483 |
| InChI Key: | RPAQZYQOHCLTME-LJQANCHMSA-N |