3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate
Chemical Structure Depiction of
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate
Compound characteristics
| Compound ID: | Y041-1629 |
| Compound Name: | 3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C30 H28 N2 O6 S |
| Smiles: | CC1=C(C)c2c(cc(C)cc2OC([C@H](Cc2c[nH]c3ccccc23)NS(c2ccc(C)cc2)(=O)=O)=O)OC1=O |
| Stereo: | ABSOLUTE |
| logP: | 6.1126 |
| logD: | 6.1126 |
| logSw: | -5.7763 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.098 |
| InChI Key: | HLKZPFUYNTVCAF-VWLOTQADSA-N |