methyl 2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}-3-oxobutanoate
Chemical Structure Depiction of
methyl 2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}-3-oxobutanoate
methyl 2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 4456-0368 |
| Compound Name: | methyl 2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}-3-oxobutanoate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C22 H19 N O6 S |
| Smiles: | CC(C(C1=C\C(c2ccccc2C1=O)=N/S(c1ccc(C)cc1)(=O)=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4568 |
| logD: | 3.4568 |
| logSw: | -4.0408 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.257 |
| InChI Key: | FZLHLVFJKMISJL-HXUWFJFHSA-N |