N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2358 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | Cc1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3ccccc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4247 |
| logD: | 2.4247 |
| logSw: | -3.0557 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | JXNHAIZUUJASNX-QGZVFWFLSA-N |