3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y041-1612 |
| Compound Name: | 3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C28 H27 N O6 S |
| Smiles: | CC1=C(C)c2c(cc(C)cc2OC([C@H](Cc2ccccc2)NS(c2ccc(C)cc2)(=O)=O)=O)OC1=O |
| Stereo: | ABSOLUTE |
| logP: | 5.8206 |
| logD: | 5.8206 |
| logSw: | -5.5961 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.227 |
| InChI Key: | KZVLQZFRXYIUJN-QHCPKHFHSA-N |