6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1302 |
| Compound Name: | 6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C23 H22 Cl N O5 S |
| Smiles: | CCc1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3cc(ccc3O2)[Cl])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7009 |
| logD: | 3.7009 |
| logSw: | -4.2516 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | UZVSFSGTIQLNGL-SFHVURJKSA-N |