N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2341 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Smiles: | COc1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3ccccc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9837 |
| logD: | 1.9837 |
| logSw: | -2.8955 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.222 |
| InChI Key: | OWPBSVTULDRTLF-MRXNPFEDSA-N |