6-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1305 |
| Compound Name: | 6-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 474.96 |
| Molecular Formula: | C23 H23 Cl N2 O5 S |
| Smiles: | CN(C)c1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3cc(ccc3O2)[Cl])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8602 |
| logD: | 2.8448 |
| logSw: | -3.6291 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.483 |
| InChI Key: | TVIRSDTXTGXBQJ-SFHVURJKSA-N |