4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y040-8142 |
| Compound Name: | 4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C23 H25 N O6 S |
| Smiles: | CCCC1=C(C)c2ccc(cc2OC1=O)OC(CCNS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4516 |
| logD: | 4.4515 |
| logSw: | -4.3656 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.814 |
| InChI Key: | KFTLLOXJMPLXSR-UHFFFAOYSA-N |