N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
Compound ID: | D103-1634 |
Compound Name: | N-benzyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
Molecular Weight: | 425.5 |
Molecular Formula: | C23 H23 N O5 S |
Smiles: | Cc1cc(C)c2C(C=C(C(N(Cc3ccccc3)C3CCS(C3)(=O)=O)=O)Oc2c1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2738 |
logD: | 3.2738 |
logSw: | -3.6569 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 65.678 |
InChI Key: | ZJFVEVXGCFADTA-GOSISDBHSA-N |