N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-2346 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Smiles: | COc1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3ccccc3O2)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5743 |
| logD: | 1.5743 |
| logSw: | -2.5222 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.939 |
| InChI Key: | POQLKOLJFQJNRQ-MRXNPFEDSA-N |