4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)tryptophanate
Chemical Structure Depiction of
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)tryptophanate
4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)tryptophanate
Compound characteristics
| Compound ID: | Y041-1525 |
| Compound Name: | 4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)tryptophanate |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C29 H26 N2 O6 S |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C)OC(C(Cc1c[nH]c2ccccc12)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3783 |
| logD: | 5.3782 |
| logSw: | -5.6904 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.267 |
| InChI Key: | PEZBBMDEQWTDNV-VWLOTQADSA-N |