6-chloro-4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
6-chloro-4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
6-chloro-4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | 3330-4673 |
| Compound Name: | 6-chloro-4-(chloromethyl)-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 470.33 |
| Molecular Formula: | C20 H17 Cl2 N O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1cc2c(cc1[Cl])C(C[Cl])=CC(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8831 |
| logD: | 3.883 |
| logSw: | -4.3994 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.387 |
| InChI Key: | WZTXRSDWZKSNKL-UHFFFAOYSA-N |