3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y041-1589 |
| Compound Name: | 3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C29 H29 N O6 S |
| Smiles: | CCC(C(=O)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1732 |
| logD: | 6.1731 |
| logSw: | -5.6224 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.911 |
| InChI Key: | UCLRAJWSFWSCND-VWLOTQADSA-N |