N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1188 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C24 H25 N O5 S |
| Smiles: | CCc1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3ccc(C)cc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5621 |
| logD: | 3.5621 |
| logSw: | -3.7482 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | QMKIDUNTSALOSV-LJQANCHMSA-N |