N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-N-[(4-propoxyphenyl)methyl]-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-N-[(4-propoxyphenyl)methyl]-4H-1-benzopyran-2-carboxamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-N-[(4-propoxyphenyl)methyl]-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1541 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-ethyl-4-oxo-N-[(4-propoxyphenyl)methyl]-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 483.58 |
| Molecular Formula: | C26 H29 N O6 S |
| Smiles: | CCCOc1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3cc(CC)ccc3O2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9973 |
| logD: | 3.9973 |
| logSw: | -4.1748 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.096 |
| InChI Key: | CRTMUIFWVLICHP-HXUWFJFHSA-N |