6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2975 |
| Compound Name: | 6-chloro-2-oxo-4-phenyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 497.95 |
| Molecular Formula: | C25 H20 Cl N O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1cc2c(cc1[Cl])C(=CC(=O)O2)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7278 |
| logD: | 4.7277 |
| logSw: | -4.9649 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.115 |
| InChI Key: | SANPVZJKQFPFEM-UHFFFAOYSA-N |