5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y040-7997 |
| Compound Name: | 5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C25 H21 N O7 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1cc(c2C(C=C(c3ccccc3)Oc2c1)=O)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0056 |
| logD: | 4.9154 |
| logSw: | -4.4841 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.988 |
| InChI Key: | UBTIKKDVXQPMRH-UHFFFAOYSA-N |