4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Chemical Structure Depiction of
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y040-3613 |
| Compound Name: | 4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H23 N O6 S |
| Smiles: | CCC(C(=O)Oc1ccc2C(C)=CC(=O)Oc2c1C)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2166 |
| logD: | 4.2165 |
| logSw: | -4.3033 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.668 |
| InChI Key: | QMHHSSRSRHSCRN-SFHVURJKSA-N |