N-benzyl-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-benzyl-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
N-benzyl-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1297 |
| Compound Name: | N-benzyl-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Smiles: | C1CS(CC1N(Cc1ccccc1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7702 |
| logD: | 2.7702 |
| logSw: | -3.8092 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | HISVRMNXQOIKOM-INIZCTEOSA-N |