N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-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)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1642 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C25 H28 N2 O5 S |
| Smiles: | Cc1cc(C)c2C(C=C(C(N(Cc3ccc(cc3)N(C)C)C3CCS(C3)(=O)=O)=O)Oc2c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3638 |
| logD: | 3.3484 |
| logSw: | -3.7392 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.483 |
| InChI Key: | REMZGJMNSCQUMI-HXUWFJFHSA-N |