3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2456 |
| Compound Name: | 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 435.88 |
| Molecular Formula: | C20 H18 Cl N O6 S |
| Smiles: | CC1=C(C(=O)Oc2cc(ccc12)OC(CCNS(c1ccc(C)cc1)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6658 |
| logD: | 3.6657 |
| logSw: | -4.206 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.814 |
| InChI Key: | AZFHGQWUZZZHNK-UHFFFAOYSA-N |