N-[(4-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1860 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C23 H22 Cl N O5 S |
| Smiles: | Cc1ccc2C(C=C(C(N(Cc3ccc(cc3)[Cl])C3CCS(C3)(=O)=O)=O)Oc2c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6693 |
| logD: | 3.6693 |
| logSw: | -4.1991 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.362 |
| InChI Key: | QSPATCIXPZJPCE-SFHVURJKSA-N |