N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-N-{[4-(propan-2-yl)phenyl]methyl}-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-N-{[4-(propan-2-yl)phenyl]methyl}-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-N-{[4-(propan-2-yl)phenyl]methyl}-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1190 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7-methyl-4-oxo-N-{[4-(propan-2-yl)phenyl]methyl}-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C25 H27 N O5 S |
| Smiles: | CC(C)c1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3ccc(C)cc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9697 |
| logD: | 3.9697 |
| logSw: | -4.0574 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | PTQAEYNVHXESRJ-HXUWFJFHSA-N |